(2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide

C23H22N4O4S — CID 24513087

IUPAC(2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1
InChIInChI=1S/C23H22N4O4S/c1-16(26-32(29,30)20-13-11-19(31-2)12-14-20)23(28)25-17-7-9-18(10-8-17)27-15-24-21-5-3-4-6-22(21)27/h3-16,26H,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyPUPXVJBRRZFNFI-INIZCTEOSA-N
MW450.52 g/mol
LogP3.34
Rot. Bonds7

About (2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide

(2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 24513087) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is (2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID24513087
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC Name(2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1
InChIInChI=1S/C23H22N4O4S/c1-16(26-32(29,30)20-13-11-19(31-2)12-14-20)23(28)25-17-7-9-18(10-8-17)27-15-24-21-5-3-4-6-22(21)27/h3-16,26H,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyPUPXVJBRRZFNFI-INIZCTEOSA-N
XLogP3.34
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide
CID 119834374
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 119834362
N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
CID 46692672
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3918637
3-[4-(benzimidazol-1-yl)phenyl]-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-methylurea
CID 125174000
3-[4-(benzimidazol-1-yl)phenyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylurea
CID 125174001
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9042158
(1-anilino-1-oxopropan-2-yl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55928591

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 24513087) is (2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1.
What is the InChIKey of (2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is PUPXVJBRRZFNFI-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-16(26-32(29,30)20-13-11-19(31-2)12-14-20)23(28)25-17-7-9-18(10-8-17)27-15-24-21-5-3-4-6-22(21)27/h3-16,26H,1-2H3,(H,25,28)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
(2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 450.52 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 24513087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).