N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

C19H22N4O3S — CID 18116434

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H22N4O3S/c1-13(19-22-16-5-3-4-6-17(16)23-19)21-18(24)12-9-14-7-10-15(11-8-14)27(25,26)20-2/h3-8,10-11,13,20H,9,12H2,1-2H3,(H,21,24)(H,22,23)/t13-/m0/s1
InChIKeyQMSGOUHQSMIEAW-ZDUSSCGKSA-N
MW386.48 g/mol
LogP2.28
Rot. Bonds7

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 18116434) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID18116434
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H22N4O3S/c1-13(19-22-16-5-3-4-6-17(16)23-19)21-18(24)12-9-14-7-10-15(11-8-14)27(25,26)20-2/h3-8,10-11,13,20H,9,12H2,1-2H3,(H,21,24)(H,22,23)/t13-/m0/s1
InChIKeyQMSGOUHQSMIEAW-ZDUSSCGKSA-N
XLogP2.28
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 18121491
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 73420210
N-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 78799758
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 55436294
N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007316
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide
CID 18116415
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711282
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide
CID 41083085
N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51181244
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide
CID 91638824

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 18116434) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is QMSGOUHQSMIEAW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13(19-22-16-5-3-4-6-17(16)23-19)21-18(24)12-9-14-7-10-15(11-8-14)27(25,26)20-2/h3-8,10-11,13,20H,9,12H2,1-2H3,(H,21,24)(H,22,23)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 386.48 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 18116434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).