N-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide

C21H24FN3O4S — CID 55941605

IUPACN-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C21H24FN3O4S/c1-13(2)19(25-30(28,29)18-6-4-3-5-17(18)22)21(27)24-15-9-7-14(8-10-15)20(26)23-16-11-12-16/h3-10,13,16,19,25H,11-12H2,1-2H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyGHPHKJFHRUVDFW-IBGZPJMESA-N
MW433.51 g/mol
LogP2.66
Rot. Bonds8

About N-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide

N-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide (PubChem CID 55941605) has the molecular formula C21H24FN3O4S and a molecular weight of 433.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide
PubChem CID55941605
Molecular FormulaC21H24FN3O4S
Molecular Weight433.51 g/mol
Exact Mass433.15
IUPAC NameN-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C21H24FN3O4S/c1-13(2)19(25-30(28,29)18-6-4-3-5-17(18)22)21(27)24-15-9-7-14(8-10-15)20(26)23-16-11-12-16/h3-10,13,16,19,25H,11-12H2,1-2H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyGHPHKJFHRUVDFW-IBGZPJMESA-N
XLogP2.66
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide with MolForge

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Related Compounds

cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120674830
cis-(1R,3S)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120677269
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide
CID 119387270
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide;hydrochloride
CID 119387269
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 55927425
N-(3-amino-4-methoxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide;hydrochloride
CID 119418923
4-(2-bromopropanoylamino)-N-cyclopropylbenzamide
CID 107903030
N-[1-[4-(cyclopropylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46553767
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide
CID 103928702
4-[(2-amino-3,3-dimethylbutanoyl)amino]-N-cyclopropylbenzamide
CID 76887468
N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
CID 18132726

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide (CID 55941605) is N-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide is CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide?
The InChIKey is GHPHKJFHRUVDFW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24FN3O4S/c1-13(2)19(25-30(28,29)18-6-4-3-5-17(18)22)21(27)24-15-9-7-14(8-10-15)20(26)23-16-11-12-16/h3-10,13,16,19,25H,11-12H2,1-2H3,(H,23,26)(H,24,27)/t19-/m0/s1.
What are the key properties of N-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide?
N-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide has a molecular weight of 433.51 g/mol, XLogP of 2.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide is sourced from PubChem (CID 55941605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).