(2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide

C22H26N4O5S — CID 55942208

IUPAC(2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCOc1cc(OC)cc(C(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c2nccn2C)c1
InChIInChI=1S/C22H26N4O5S/c1-15(25-32(28,29)19-8-6-5-7-9-19)22(27)24-20(21-23-10-11-26(21)2)16-12-17(30-3)14-18(13-16)31-4/h5-15,20,25H,1-4H3,(H,24,27)/t15-,20?/m0/s1
InChIKeyZNGGJRJOBMRZGT-OOJLDXBWSA-N
MW458.54 g/mol
LogP2.01
Rot. Bonds9

About (2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide

(2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 55942208) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID55942208
Molecular FormulaC22H26N4O5S
Molecular Weight458.54 g/mol
Exact Mass458.16
IUPAC Name(2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCOc1cc(OC)cc(C(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c2nccn2C)c1
InChIInChI=1S/C22H26N4O5S/c1-15(25-32(28,29)19-8-6-5-7-9-19)22(27)24-20(21-23-10-11-26(21)2)16-12-17(30-3)14-18(13-16)31-4/h5-15,20,25H,1-4H3,(H,24,27)/t15-,20?/m0/s1
InChIKeyZNGGJRJOBMRZGT-OOJLDXBWSA-N
XLogP2.01
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 55627297
N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 40797952
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119838058
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 25474515
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 46653959
(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide
CID 18283783
2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 55456727
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide
CID 55457067
2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 55457676
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenoxybenzamide
CID 55457244
(E)-3-(3,5-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]prop-2-enamide
CID 24523288
2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 42941103

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide (CID 55942208) is (2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide is COc1cc(OC)cc(C(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c2nccn2C)c1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is ZNGGJRJOBMRZGT-OOJLDXBWSA-N. The full InChI is InChI=1S/C22H26N4O5S/c1-15(25-32(28,29)19-8-6-5-7-9-19)22(27)24-20(21-23-10-11-26(21)2)16-12-17(30-3)14-18(13-16)31-4/h5-15,20,25H,1-4H3,(H,24,27)/t15-,20?/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
(2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 458.54 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 55942208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).