(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide

C23H30FN3O4S — CID 55972204

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(CC(C)(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H30FN3O4S/c1-15(27-32(30,31)20-12-10-19(11-13-20)25-16(2)28)22(29)26-21(14-23(3,4)5)17-6-8-18(24)9-7-17/h6-13,15,21,27H,14H2,1-5H3,(H,25,28)(H,26,29)/t15-,21?/m0/s1
InChIKeyRMMPRDMFQSHOEM-ZDGMYTEDSA-N
MW463.58 g/mol
LogP3.74
Rot. Bonds8

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide (PubChem CID 55972204) has the molecular formula C23H30FN3O4S and a molecular weight of 463.58 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide
PubChem CID55972204
Molecular FormulaC23H30FN3O4S
Molecular Weight463.58 g/mol
Exact Mass463.19
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(CC(C)(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H30FN3O4S/c1-15(27-32(30,31)20-12-10-19(11-13-20)25-16(2)28)22(29)26-21(14-23(3,4)5)17-6-8-18(24)9-7-17/h6-13,15,21,27H,14H2,1-5H3,(H,25,28)(H,26,29)/t15-,21?/m0/s1
InChIKeyRMMPRDMFQSHOEM-ZDGMYTEDSA-N
XLogP3.74
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 4539824
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119224998
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide
CID 124549106
(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
N-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide
CID 20931904
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 24537324
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide
CID 40612538
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 30403950

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide (CID 55972204) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(CC(C)(C)C)c2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide?
The InChIKey is RMMPRDMFQSHOEM-ZDGMYTEDSA-N. The full InChI is InChI=1S/C23H30FN3O4S/c1-15(27-32(30,31)20-12-10-19(11-13-20)25-16(2)28)22(29)26-21(14-23(3,4)5)17-6-8-18(24)9-7-17/h6-13,15,21,27H,14H2,1-5H3,(H,25,28)(H,26,29)/t15-,21?/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide has a molecular weight of 463.58 g/mol, XLogP of 3.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide is sourced from PubChem (CID 55972204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).