N-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-3-(benzenesulfonamido)benzamide

C26H27N5O4S — CID 52918651

IUPACN-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-3-(benzenesulfonamido)benzamide
SMILESCCCn1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)nc2cc(N(C)C(C)=O)ccc21
InChIInChI=1S/C26H27N5O4S/c1-4-15-31-24-14-13-21(30(3)18(2)32)17-23(24)27-26(31)28-25(33)19-9-8-10-20(16-19)29-36(34,35)22-11-6-5-7-12-22/h5-14,16-17,29H,4,15H2,1-3H3,(H,27,28,33)
InChIKeyYVFJANHIKUYFMV-UHFFFAOYSA-N
MW505.60 g/mol
LogP4.48
Rot. Bonds8

About N-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-3-(benzenesulfonamido)benzamide

N-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-3-(benzenesulfonamido)benzamide (PubChem CID 52918651) has the molecular formula C26H27N5O4S and a molecular weight of 505.60 g/mol. Its IUPAC name is N-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-3-(benzenesulfonamido)benzamide.

Molecular Properties

Compound NameN-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-3-(benzenesulfonamido)benzamide
PubChem CID52918651
Molecular FormulaC26H27N5O4S
Molecular Weight505.60 g/mol
Exact Mass505.18
IUPAC NameN-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-3-(benzenesulfonamido)benzamide
SMILESCCCn1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)nc2cc(N(C)C(C)=O)ccc21
InChIInChI=1S/C26H27N5O4S/c1-4-15-31-24-14-13-21(30(3)18(2)32)17-23(24)27-26(31)28-25(33)19-9-8-10-20(16-19)29-36(34,35)22-11-6-5-7-12-22/h5-14,16-17,29H,4,15H2,1-3H3,(H,27,28,33)
InChIKeyYVFJANHIKUYFMV-UHFFFAOYSA-N
XLogP4.48
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonamido)-N-[5-(methylamino)-1-propylbenzimidazol-2-yl]benzamide;3-(benzenesulfonamido)-N-[5-[methyl(phenylcarbamoyl)amino]-1-propylbenzimidazol-2-yl]benzamide
CID 87576415
N-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide
CID 68789371
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide
CID 164600980
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(1,3-dioxolan-2-ylmethyl)benzamide
CID 58742879
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide
CID 24601105
3-N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 58742592
4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
CID 24628743
3-(benzenesulfonamido)-N,N-dipropylbenzamide
CID 30282516
3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 37044059
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyano-3-methylbenzamide
CID 44589016

Frequently Asked Questions

What is the IUPAC name of N-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-3-(benzenesulfonamido)benzamide?
The IUPAC name of N-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-3-(benzenesulfonamido)benzamide (CID 52918651) is N-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-3-(benzenesulfonamido)benzamide.
What is the SMILES notation for N-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-3-(benzenesulfonamido)benzamide?
The canonical SMILES for N-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-3-(benzenesulfonamido)benzamide is CCCn1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)nc2cc(N(C)C(C)=O)ccc21.
What is the InChIKey of N-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-3-(benzenesulfonamido)benzamide?
The InChIKey is YVFJANHIKUYFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4S/c1-4-15-31-24-14-13-21(30(3)18(2)32)17-23(24)27-26(31)28-25(33)19-9-8-10-20(16-19)29-36(34,35)22-11-6-5-7-12-22/h5-14,16-17,29H,4,15H2,1-3H3,(H,27,28,33).
What are the key properties of N-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-3-(benzenesulfonamido)benzamide?
N-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-3-(benzenesulfonamido)benzamide has a molecular weight of 505.60 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-3-(benzenesulfonamido)benzamide is sourced from PubChem (CID 52918651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).