N-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide

C22H23N5O3S2 — CID 24569101

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)Nc2nc(-c3ccccc3)cs2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C22H23N5O3S2/c1-2-12-27-19-9-8-16(32(23,29)30)13-17(19)24-20(27)10-11-21(28)26-22-25-18(14-31-22)15-6-4-3-5-7-15/h3-9,13-14H,2,10-12H2,1H3,(H2,23,29,30)(H,25,26,28)
InChIKeyUYAXFKYPEPJUAG-UHFFFAOYSA-N
MW469.59 g/mol
LogP3.79
Rot. Bonds8

About N-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide

N-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide (PubChem CID 24569101) has the molecular formula C22H23N5O3S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
PubChem CID24569101
Molecular FormulaC22H23N5O3S2
Molecular Weight469.59 g/mol
Exact Mass469.12
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)Nc2nc(-c3ccccc3)cs2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C22H23N5O3S2/c1-2-12-27-19-9-8-16(32(23,29)30)13-17(19)24-20(27)10-11-21(28)26-22-25-18(14-31-22)15-6-4-3-5-7-15/h3-9,13-14H,2,10-12H2,1H3,(H2,23,29,30)(H,25,26,28)
InChIKeyUYAXFKYPEPJUAG-UHFFFAOYSA-N
XLogP3.79
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-naphthalen-2-yl-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24536273
3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
CID 52719532
N-(2-methylpropyl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24537181
N-(4-methyl-1,3-thiazol-2-yl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 16580086
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 25042013
N-[(4-methylphenyl)methyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24536739
3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 24545524
2-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-1-propylbenzimidazole-5-sulfonamide
CID 46529218
N-[1-(4-methoxyphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24547672
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 42150528
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24549962
3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 40795400

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide (CID 24569101) is N-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide is CCCn1c(CCC(=O)Nc2nc(-c3ccccc3)cs2)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
The InChIKey is UYAXFKYPEPJUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S2/c1-2-12-27-19-9-8-16(32(23,29)30)13-17(19)24-20(27)10-11-21(28)26-22-25-18(14-31-22)15-6-4-3-5-7-15/h3-9,13-14H,2,10-12H2,1H3,(H2,23,29,30)(H,25,26,28).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
N-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide has a molecular weight of 469.59 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 24569101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).