N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide

C21H26N4O3S2 — CID 60597282

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCCn1c(CN(C)C(=O)C2CCCN2S(=O)(=O)c2ccc(C)s2)nc2ccccc21
InChIInChI=1S/C21H26N4O3S2/c1-4-24-17-9-6-5-8-16(17)22-19(24)14-23(3)21(26)18-10-7-13-25(18)30(27,28)20-12-11-15(2)29-20/h5-6,8-9,11-12,18H,4,7,10,13-14H2,1-3H3
InChIKeySXJXHMPDQOWZMR-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.24
Rot. Bonds6

About N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 60597282) has the molecular formula C21H26N4O3S2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID60597282
Molecular FormulaC21H26N4O3S2
Molecular Weight446.60 g/mol
Exact Mass446.14
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCCn1c(CN(C)C(=O)C2CCCN2S(=O)(=O)c2ccc(C)s2)nc2ccccc21
InChIInChI=1S/C21H26N4O3S2/c1-4-24-17-9-6-5-8-16(17)22-19(24)14-23(3)21(26)18-10-7-13-25(18)30(27,28)20-12-11-15(2)29-20/h5-6,8-9,11-12,18H,4,7,10,13-14H2,1-3H3
InChIKeySXJXHMPDQOWZMR-UHFFFAOYSA-N
XLogP3.24
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[(4-methoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 78853287
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 56807693
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 52991285
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51305225
N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 51096302
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone
CID 119647161
N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341656
(4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
CID 119375688
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 124515974
(2R)-N-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide
CID 25302818
1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 119167253
1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile
CID 49062573

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide (CID 60597282) is N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide is CCn1c(CN(C)C(=O)C2CCCN2S(=O)(=O)c2ccc(C)s2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is SXJXHMPDQOWZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S2/c1-4-24-17-9-6-5-8-16(17)22-19(24)14-23(3)21(26)18-10-7-13-25(18)30(27,28)20-12-11-15(2)29-20/h5-6,8-9,11-12,18H,4,7,10,13-14H2,1-3H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60597282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).