N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-N-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]cyclopentanecarboxamide

C33H41FN4O5S — CID 24756630

IUPACN-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-N-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]cyclopentanecarboxamide
SMILESCc1onc(NS(=O)(=O)c2ccccc2-c2ccc(CN(C(=O)C3CCCC3)[C@H](C(=O)NC3CCCC3)C(C)C)cc2)c1F
InChIInChI=1S/C33H41FN4O5S/c1-21(2)30(32(39)35-26-12-6-7-13-26)38(33(40)25-10-4-5-11-25)20-23-16-18-24(19-17-23)27-14-8-9-15-28(27)44(41,42)37-31-29(34)22(3)43-36-31/h8-9,14-19,21,25-26,30H,4-7,10-13,20H2,1-3H3,(H,35,39)(H,36,37)/t30-/m0/s1
InChIKeyROWHWKQWDQTDOS-PMERELPUSA-N
MW624.78 g/mol
LogP6.19
Rot. Bonds11

About N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-N-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]cyclopentanecarboxamide

N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-N-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]cyclopentanecarboxamide (PubChem CID 24756630) has the molecular formula C33H41FN4O5S and a molecular weight of 624.78 g/mol. Its IUPAC name is N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-N-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-N-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]cyclopentanecarboxamide
PubChem CID24756630
Molecular FormulaC33H41FN4O5S
Molecular Weight624.78 g/mol
Exact Mass624.28
IUPAC NameN-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-N-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]cyclopentanecarboxamide
SMILESCc1onc(NS(=O)(=O)c2ccccc2-c2ccc(CN(C(=O)C3CCCC3)[C@H](C(=O)NC3CCCC3)C(C)C)cc2)c1F
InChIInChI=1S/C33H41FN4O5S/c1-21(2)30(32(39)35-26-12-6-7-13-26)38(33(40)25-10-4-5-11-25)20-23-16-18-24(19-17-23)27-14-8-9-15-28(27)44(41,42)37-31-29(34)22(3)43-36-31/h8-9,14-19,21,25-26,30H,4-7,10-13,20H2,1-3H3,(H,35,39)(H,36,37)/t30-/m0/s1
InChIKeyROWHWKQWDQTDOS-PMERELPUSA-N
XLogP6.19
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.78
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-N-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]cyclopentanecarboxamide with MolForge

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Related Compounds

(2S)-2-[butanoyl-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]amino]-3-methyl-N-propan-2-ylbutanamide
CID 24757856
2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-propylphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 11467303
2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 9893329
2-[butanoyl-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]amino]-3-methyl-N-propan-2-ylbutanamide
CID 90891935
2-[butanoyl-[[4-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]amino]-3-methyl-N-propan-2-ylbutanamide
CID 91494914
2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]-N-(4-fluoro-5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 16742568
(2S)-2-[butanoyl-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-fluorophenyl]methyl]amino]-N,3-dimethylbutanamide
CID 20598803
(2S)-2-[butanoyl-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-5-fluorophenyl]phenyl]methyl]amino]-N,3-dimethylbutanamide
CID 20598804
2-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-fluorophenyl]methyl-pentanoylamino]-N,3-dimethylbutanamide
CID 20747529
2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-fluorobenzenesulfonamide
CID 22574781
2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-5-chloro-2-fluorophenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 22574879
(2S)-2-[butanoyl-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]amino]-3-methyl-N-(2-methylpropyl)butanamide
CID 24756552

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-N-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-N-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]cyclopentanecarboxamide (CID 24756630) is N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-N-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-N-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-N-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]cyclopentanecarboxamide is Cc1onc(NS(=O)(=O)c2ccccc2-c2ccc(CN(C(=O)C3CCCC3)[C@H](C(=O)NC3CCCC3)C(C)C)cc2)c1F.
What is the InChIKey of N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-N-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]cyclopentanecarboxamide?
The InChIKey is ROWHWKQWDQTDOS-PMERELPUSA-N. The full InChI is InChI=1S/C33H41FN4O5S/c1-21(2)30(32(39)35-26-12-6-7-13-26)38(33(40)25-10-4-5-11-25)20-23-16-18-24(19-17-23)27-14-8-9-15-28(27)44(41,42)37-31-29(34)22(3)43-36-31/h8-9,14-19,21,25-26,30H,4-7,10-13,20H2,1-3H3,(H,35,39)(H,36,37)/t30-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-N-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]cyclopentanecarboxamide?
N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-N-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]cyclopentanecarboxamide has a molecular weight of 624.78 g/mol, XLogP of 6.19, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-N-[[4-[2-[(4-fluoro-5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 24756630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).