N-[2-(3-methylthiophen-2-yl)ethyl]-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide

C23H30N4O4S2 — CID 53139139

IUPACN-[2-(3-methylthiophen-2-yl)ethyl]-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
SMILESCc1ccsc1CCNC(=O)Cn1c(=O)n(C(C)C)c2ccc(S(=O)(=O)N3CCCC3)cc21
InChIInChI=1S/C23H30N4O4S2/c1-16(2)27-19-7-6-18(33(30,31)25-11-4-5-12-25)14-20(19)26(23(27)29)15-22(28)24-10-8-21-17(3)9-13-32-21/h6-7,9,13-14,16H,4-5,8,10-12,15H2,1-3H3,(H,24,28)
InChIKeyWFPDDXNKIBOLMY-UHFFFAOYSA-N
MW490.65 g/mol
LogP2.90
Rot. Bonds8

About N-[2-(3-methylthiophen-2-yl)ethyl]-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide

N-[2-(3-methylthiophen-2-yl)ethyl]-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide (PubChem CID 53139139) has the molecular formula C23H30N4O4S2 and a molecular weight of 490.65 g/mol. Its IUPAC name is N-[2-(3-methylthiophen-2-yl)ethyl]-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methylthiophen-2-yl)ethyl]-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
PubChem CID53139139
Molecular FormulaC23H30N4O4S2
Molecular Weight490.65 g/mol
Exact Mass490.17
IUPAC NameN-[2-(3-methylthiophen-2-yl)ethyl]-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
SMILESCc1ccsc1CCNC(=O)Cn1c(=O)n(C(C)C)c2ccc(S(=O)(=O)N3CCCC3)cc21
InChIInChI=1S/C23H30N4O4S2/c1-16(2)27-19-7-6-18(33(30,31)25-11-4-5-12-25)14-20(19)26(23(27)29)15-22(28)24-10-8-21-17(3)9-13-32-21/h6-7,9,13-14,16H,4-5,8,10-12,15H2,1-3H3,(H,24,28)
InChIKeyWFPDDXNKIBOLMY-UHFFFAOYSA-N
XLogP2.90
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
CID 53139133
N-(2,4-dimethylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
CID 53139096
N-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
CID 53139129
1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 53106312
N-[(4-methylphenyl)methyl]-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 126458519
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32990360
2-methyl-3-[2-(3-methylthiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 115164366
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 23603543
N-(oxolan-2-ylmethyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 126457292
2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 37479540
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
CID 50767660

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide (CID 53139139) is N-[2-(3-methylthiophen-2-yl)ethyl]-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-methylthiophen-2-yl)ethyl]-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-(3-methylthiophen-2-yl)ethyl]-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide is Cc1ccsc1CCNC(=O)Cn1c(=O)n(C(C)C)c2ccc(S(=O)(=O)N3CCCC3)cc21.
What is the InChIKey of N-[2-(3-methylthiophen-2-yl)ethyl]-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide?
The InChIKey is WFPDDXNKIBOLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S2/c1-16(2)27-19-7-6-18(33(30,31)25-11-4-5-12-25)14-20(19)26(23(27)29)15-22(28)24-10-8-21-17(3)9-13-32-21/h6-7,9,13-14,16H,4-5,8,10-12,15H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(3-methylthiophen-2-yl)ethyl]-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide?
N-[2-(3-methylthiophen-2-yl)ethyl]-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide has a molecular weight of 490.65 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylthiophen-2-yl)ethyl]-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 53139139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).