N-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]phenyl]-N-methylmethanesulfonamide

C19H21N3O3S2 — CID 7594705

IUPACN-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]phenyl]-N-methylmethanesulfonamide
SMILESCCn1c(SCC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)nc2ccccc21
InChIInChI=1S/C19H21N3O3S2/c1-4-22-17-8-6-5-7-16(17)20-19(22)26-13-18(23)14-9-11-15(12-10-14)21(2)27(3,24)25/h5-12H,4,13H2,1-3H3
InChIKeyIRJLTBHHLBGZHV-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.43
Rot. Bonds7

About N-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]phenyl]-N-methylmethanesulfonamide

N-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]phenyl]-N-methylmethanesulfonamide (PubChem CID 7594705) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]phenyl]-N-methylmethanesulfonamide
PubChem CID7594705
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC NameN-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]phenyl]-N-methylmethanesulfonamide
SMILESCCn1c(SCC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)nc2ccccc21
InChIInChI=1S/C19H21N3O3S2/c1-4-22-17-8-6-5-7-16(17)20-19(22)26-13-18(23)14-9-11-15(12-10-14)21(2)27(3,24)25/h5-12H,4,13H2,1-3H3
InChIKeyIRJLTBHHLBGZHV-UHFFFAOYSA-N
XLogP3.43
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]phenyl]-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]-N-methylmethanesulfonamide
CID 8724283
2-(1-butylbenzimidazol-2-yl)sulfanyl-1-(4-methylphenyl)ethanone;hydrobromide
CID 163332838
N-methyl-N-[4-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]methanesulfonamide
CID 7494289
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylethanone
CID 4810563
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 40739487
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 861065
N-[2-[4-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]ethyl]methanesulfonamide
CID 24527911
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-phenylethanone
CID 17391703
1-ethyl-2-hydroxysulfanylbenzimidazole
CID 143815190
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone
CID 112759939
N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171399

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]phenyl]-N-methylmethanesulfonamide (CID 7594705) is N-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]phenyl]-N-methylmethanesulfonamide is CCn1c(SCC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)nc2ccccc21.
What is the InChIKey of N-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]phenyl]-N-methylmethanesulfonamide?
The InChIKey is IRJLTBHHLBGZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-4-22-17-8-6-5-7-16(17)20-19(22)26-13-18(23)14-9-11-15(12-10-14)21(2)27(3,24)25/h5-12H,4,13H2,1-3H3.
What are the key properties of N-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]phenyl]-N-methylmethanesulfonamide?
N-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]phenyl]-N-methylmethanesulfonamide has a molecular weight of 403.53 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 7594705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).