(2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-phenyl-N-(2H-tetrazol-5-yl)propanamide

C25H29ClN8O4S — CID 54426384

IUPAC(2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-phenyl-N-(2H-tetrazol-5-yl)propanamide
SMILESCCCCc1nc(Cl)c(CO)n1Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nn[nH]n2)cc1
InChIInChI=1S/C25H29ClN8O4S/c1-2-3-9-22-27-23(26)21(16-35)34(22)15-18-10-12-19(13-11-18)39(37,38)31-20(14-17-7-5-4-6-8-17)24(36)28-25-29-32-33-30-25/h4-8,10-13,20,31,35H,2-3,9,14-16H2,1H3,(H2,28,29,30,32,33,36)/t20-/m0/s1
InChIKeyWEJLHGHEJPAXNA-FQEVSTJZSA-N
MW573.08 g/mol
LogP2.46
Rot. Bonds13

About (2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-phenyl-N-(2H-tetrazol-5-yl)propanamide

(2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-phenyl-N-(2H-tetrazol-5-yl)propanamide (PubChem CID 54426384) has the molecular formula C25H29ClN8O4S and a molecular weight of 573.08 g/mol. Its IUPAC name is (2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-phenyl-N-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-phenyl-N-(2H-tetrazol-5-yl)propanamide
PubChem CID54426384
Molecular FormulaC25H29ClN8O4S
Molecular Weight573.08 g/mol
Exact Mass572.17
IUPAC Name(2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-phenyl-N-(2H-tetrazol-5-yl)propanamide
SMILESCCCCc1nc(Cl)c(CO)n1Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nn[nH]n2)cc1
InChIInChI=1S/C25H29ClN8O4S/c1-2-3-9-22-27-23(26)21(16-35)34(22)15-18-10-12-19(13-11-18)39(37,38)31-20(14-17-7-5-4-6-8-17)24(36)28-25-29-32-33-30-25/h4-8,10-13,20,31,35H,2-3,9,14-16H2,1H3,(H2,28,29,30,32,33,36)/t20-/m0/s1
InChIKeyWEJLHGHEJPAXNA-FQEVSTJZSA-N
XLogP2.46
TPSA167.78 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.08
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-phenyl-N-(2H-tetrazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[tert-butyl-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-N-(2H-tetrazol-5-yl)acetamide
CID 54029523
methyl (2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-[deuterio(phenyl)methoxy]propanoate
CID 54410468
N-[2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-2-oxoethyl]-3-phenyl-2-sulfanylpropanamide
CID 87246387
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 3961
2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonyl-methylamino]-2-methylpropanoic acid
CID 54133704
tert-butyl N-[(2S)-1-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]anilino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
CID 15159736
2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde;[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 167599021
2-[[2-[2-butyl-5-chloro-3-[(2-chlorophenyl)methyl]imidazol-4-yl]acetyl]amino]-3-phenylpropanoic acid
CID 67858633
[2-butyl-5-chloro-3-[[6-(2H-tetrazol-5-yl)naphthalen-2-yl]methyl]imidazol-4-yl]methanol
CID 15699054
2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 50740311
[5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(4,4,4-trideuteriobutyl)imidazol-4-yl]methanol
CID 45039667
(2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40601003

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-phenyl-N-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of (2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-phenyl-N-(2H-tetrazol-5-yl)propanamide (CID 54426384) is (2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-phenyl-N-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-phenyl-N-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-phenyl-N-(2H-tetrazol-5-yl)propanamide is CCCCc1nc(Cl)c(CO)n1Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nn[nH]n2)cc1.
What is the InChIKey of (2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-phenyl-N-(2H-tetrazol-5-yl)propanamide?
The InChIKey is WEJLHGHEJPAXNA-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H29ClN8O4S/c1-2-3-9-22-27-23(26)21(16-35)34(22)15-18-10-12-19(13-11-18)39(37,38)31-20(14-17-7-5-4-6-8-17)24(36)28-25-29-32-33-30-25/h4-8,10-13,20,31,35H,2-3,9,14-16H2,1H3,(H2,28,29,30,32,33,36)/t20-/m0/s1.
What are the key properties of (2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-phenyl-N-(2H-tetrazol-5-yl)propanamide?
(2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-phenyl-N-(2H-tetrazol-5-yl)propanamide has a molecular weight of 573.08 g/mol, XLogP of 2.46, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-phenyl-N-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 54426384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).