N-(4-methoxyphenyl)-3-(2-oxo-5-piperidin-1-ylsulfonyl-3H-benzimidazol-1-yl)propanamide

C22H26N4O5S — CID 50794334

IUPACN-(4-methoxyphenyl)-3-(2-oxo-5-piperidin-1-ylsulfonyl-3H-benzimidazol-1-yl)propanamide
SMILESCOc1ccc(NC(=O)CCn2c(=O)[nH]c3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1
InChIInChI=1S/C22H26N4O5S/c1-31-17-7-5-16(6-8-17)23-21(27)11-14-26-20-10-9-18(15-19(20)24-22(26)28)32(29,30)25-12-3-2-4-13-25/h5-10,15H,2-4,11-14H2,1H3,(H,23,27)(H,24,28)
InChIKeyGGSIYDOUWXDUMI-UHFFFAOYSA-N
MW458.54 g/mol
LogP2.54
Rot. Bonds7

About N-(4-methoxyphenyl)-3-(2-oxo-5-piperidin-1-ylsulfonyl-3H-benzimidazol-1-yl)propanamide

N-(4-methoxyphenyl)-3-(2-oxo-5-piperidin-1-ylsulfonyl-3H-benzimidazol-1-yl)propanamide (PubChem CID 50794334) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(2-oxo-5-piperidin-1-ylsulfonyl-3H-benzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(2-oxo-5-piperidin-1-ylsulfonyl-3H-benzimidazol-1-yl)propanamide
PubChem CID50794334
Molecular FormulaC22H26N4O5S
Molecular Weight458.54 g/mol
Exact Mass458.16
IUPAC NameN-(4-methoxyphenyl)-3-(2-oxo-5-piperidin-1-ylsulfonyl-3H-benzimidazol-1-yl)propanamide
SMILESCOc1ccc(NC(=O)CCn2c(=O)[nH]c3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1
InChIInChI=1S/C22H26N4O5S/c1-31-17-7-5-16(6-8-17)23-21(27)11-14-26-20-10-9-18(15-19(20)24-22(26)28)32(29,30)25-12-3-2-4-13-25/h5-10,15H,2-4,11-14H2,1H3,(H,23,27)(H,24,28)
InChIKeyGGSIYDOUWXDUMI-UHFFFAOYSA-N
XLogP2.54
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzothiazol-3-yl]-N-(4-methoxyphenyl)propanamide
CID 53081184
N-(4-methoxyphenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 19260097
N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide
CID 24816757
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 26921911
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
3-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzothiazol-3-yl]-N-(4-ethylphenyl)propanamide
CID 53081192
4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide
CID 55624016
methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 650944
N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191781
3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 17191768
2-(4-methoxyphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 28633089
N-(4-ethylphenyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)propanamide
CID 53081171

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(2-oxo-5-piperidin-1-ylsulfonyl-3H-benzimidazol-1-yl)propanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(2-oxo-5-piperidin-1-ylsulfonyl-3H-benzimidazol-1-yl)propanamide (CID 50794334) is N-(4-methoxyphenyl)-3-(2-oxo-5-piperidin-1-ylsulfonyl-3H-benzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(2-oxo-5-piperidin-1-ylsulfonyl-3H-benzimidazol-1-yl)propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(2-oxo-5-piperidin-1-ylsulfonyl-3H-benzimidazol-1-yl)propanamide is COc1ccc(NC(=O)CCn2c(=O)[nH]c3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(2-oxo-5-piperidin-1-ylsulfonyl-3H-benzimidazol-1-yl)propanamide?
The InChIKey is GGSIYDOUWXDUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S/c1-31-17-7-5-16(6-8-17)23-21(27)11-14-26-20-10-9-18(15-19(20)24-22(26)28)32(29,30)25-12-3-2-4-13-25/h5-10,15H,2-4,11-14H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-(4-methoxyphenyl)-3-(2-oxo-5-piperidin-1-ylsulfonyl-3H-benzimidazol-1-yl)propanamide?
N-(4-methoxyphenyl)-3-(2-oxo-5-piperidin-1-ylsulfonyl-3H-benzimidazol-1-yl)propanamide has a molecular weight of 458.54 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(2-oxo-5-piperidin-1-ylsulfonyl-3H-benzimidazol-1-yl)propanamide is sourced from PubChem (CID 50794334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).