N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

C24H30N4O5S — CID 27287862

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c2ccccc21
InChIInChI=1S/C24H30N4O5S/c1-3-13-27-20-9-5-6-10-21(20)28(24(27)30)17-23(29)25-19-16-18(11-12-22(19)33-2)34(31,32)26-14-7-4-8-15-26/h5-6,9-12,16H,3-4,7-8,13-15,17H2,1-2H3,(H,25,29)
InChIKeyCFQQMEFEWQZBRA-UHFFFAOYSA-N
MW486.59 g/mol
LogP3.03
Rot. Bonds8

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (PubChem CID 27287862) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
PubChem CID27287862
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c2ccccc21
InChIInChI=1S/C24H30N4O5S/c1-3-13-27-20-9-5-6-10-21(20)28(24(27)30)17-23(29)25-19-16-18(11-12-22(19)33-2)34(31,32)26-14-7-4-8-15-26/h5-6,9-12,16H,3-4,7-8,13-15,17H2,1-2H3,(H,25,29)
InChIKeyCFQQMEFEWQZBRA-UHFFFAOYSA-N
XLogP3.03
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 27285530
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 52662712
2-(2-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92673181
3-(benzenesulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 24636057
[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl] propanoate
CID 9015169
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902014
2-(azepan-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4965549
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
CID 4813371
2-(2-fluorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 7733293
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (CID 27287862) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is CCCn1c(=O)n(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c2ccccc21.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The InChIKey is CFQQMEFEWQZBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-3-13-27-20-9-5-6-10-21(20)28(24(27)30)17-23(29)25-19-16-18(11-12-22(19)33-2)34(31,32)26-14-7-4-8-15-26/h5-6,9-12,16H,3-4,7-8,13-15,17H2,1-2H3,(H,25,29).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide has a molecular weight of 486.59 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 27287862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).