1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide

C22H29N5O6S — CID 30860669

IUPAC1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1
InChIInChI=1S/C22H29N5O6S/c1-25(2)20(28)14-33-17-6-4-16(5-7-17)24-22(30)15-8-10-27(11-9-15)34(31,32)18-12-19(21(23)29)26(3)13-18/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,23,29)(H,24,30)
InChIKeyAVYWEGDFXRIXPO-UHFFFAOYSA-N
MW491.57 g/mol
LogP0.63
Rot. Bonds8

About 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide

1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide (PubChem CID 30860669) has the molecular formula C22H29N5O6S and a molecular weight of 491.57 g/mol. Its IUPAC name is 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
PubChem CID30860669
Molecular FormulaC22H29N5O6S
Molecular Weight491.57 g/mol
Exact Mass491.18
IUPAC Name1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1
InChIInChI=1S/C22H29N5O6S/c1-25(2)20(28)14-33-17-6-4-16(5-7-17)24-22(30)15-8-10-27(11-9-15)34(31,32)18-12-19(21(23)29)26(3)13-18/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,23,29)(H,24,30)
InChIKeyAVYWEGDFXRIXPO-UHFFFAOYSA-N
XLogP0.63
TPSA144.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
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1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
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1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-4-carboxamide
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N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915615
methyl 4-[2-[(4-ethoxyphenyl)carbamoyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide (CID 30860669) is 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide is CN(C)C(=O)COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1.
What is the InChIKey of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide?
The InChIKey is AVYWEGDFXRIXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O6S/c1-25(2)20(28)14-33-17-6-4-16(5-7-17)24-22(30)15-8-10-27(11-9-15)34(31,32)18-12-19(21(23)29)26(3)13-18/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,23,29)(H,24,30).
What are the key properties of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide?
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 30860669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).