N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide

C25H26N4O3S — CID 60512681

IUPACN-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESCC(NC(=O)CCc1nc2ccccc2n1-c1ccccc1)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C25H26N4O3S/c1-18(19-9-8-10-20(17-19)28-33(2,31)32)26-25(30)16-15-24-27-22-13-6-7-14-23(22)29(24)21-11-4-3-5-12-21/h3-14,17-18,28H,15-16H2,1-2H3,(H,26,30)
InChIKeyFUMKTCDUZXGKAP-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.21
Rot. Bonds8

About N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide

N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide (PubChem CID 60512681) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
PubChem CID60512681
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC NameN-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESCC(NC(=O)CCc1nc2ccccc2n1-c1ccccc1)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C25H26N4O3S/c1-18(19-9-8-10-20(17-19)28-33(2,31)32)26-25(30)16-15-24-27-22-13-6-7-14-23(22)29(24)21-11-4-3-5-12-21/h3-14,17-18,28H,15-16H2,1-2H3,(H,26,30)
InChIKeyFUMKTCDUZXGKAP-UHFFFAOYSA-N
XLogP4.21
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 55524175
3-[3-(1-phenylbenzimidazol-2-yl)propanoylamino]butanoic acid
CID 119221124
3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55711196
N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119504582
3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 55632468
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide
CID 60512770
N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 52894225
3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55666210
3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 38714091
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 55666139
N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 60508285

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide (CID 60512681) is N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide is CC(NC(=O)CCc1nc2ccccc2n1-c1ccccc1)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
The InChIKey is FUMKTCDUZXGKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-18(19-9-8-10-20(17-19)28-33(2,31)32)26-25(30)16-15-24-27-22-13-6-7-14-23(22)29(24)21-11-4-3-5-12-21/h3-14,17-18,28H,15-16H2,1-2H3,(H,26,30).
What are the key properties of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide has a molecular weight of 462.58 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 60512681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).