5-(nitrosomethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide

C22H24N4O4S — CID 171536131

IUPAC5-(nitrosomethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide
SMILESO=NCc1ccc2c(ccn2C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C22H24N4O4S/c27-22(26-13-10-19-14-18(16-24-28)6-9-21(19)26)23-15-17-4-7-20(8-5-17)31(29,30)25-11-2-1-3-12-25/h4-10,13-14H,1-3,11-12,15-16H2,(H,23,27)
InChIKeyXIAKENRTBHQDCM-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.84
Rot. Bonds6

About 5-(nitrosomethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide

5-(nitrosomethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide (PubChem CID 171536131) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 5-(nitrosomethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide.

Molecular Properties

Compound Name5-(nitrosomethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide
PubChem CID171536131
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name5-(nitrosomethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide
SMILESO=NCc1ccc2c(ccn2C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C22H24N4O4S/c27-22(26-13-10-19-14-18(16-24-28)6-9-21(19)26)23-15-17-4-7-20(8-5-17)31(29,30)25-11-2-1-3-12-25/h4-10,13-14H,1-3,11-12,15-16H2,(H,23,27)
InChIKeyXIAKENRTBHQDCM-UHFFFAOYSA-N
XLogP3.84
TPSA100.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide
CID 171536169
N-[[4-(azepan-1-ylsulfonyl)phenyl]methyl]indole-1-carboxamide
CID 171536260
N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide
CID 171536240
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 17248916
N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide
CID 20919093
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 20919077
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759219
N-[(4-methoxyphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 24789970
1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 51273906
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 17248838

Frequently Asked Questions

What is the IUPAC name of 5-(nitrosomethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide?
The IUPAC name of 5-(nitrosomethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide (CID 171536131) is 5-(nitrosomethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide.
What is the SMILES notation for 5-(nitrosomethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide?
The canonical SMILES for 5-(nitrosomethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide is O=NCc1ccc2c(ccn2C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of 5-(nitrosomethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide?
The InChIKey is XIAKENRTBHQDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c27-22(26-13-10-19-14-18(16-24-28)6-9-21(19)26)23-15-17-4-7-20(8-5-17)31(29,30)25-11-2-1-3-12-25/h4-10,13-14H,1-3,11-12,15-16H2,(H,23,27).
What are the key properties of 5-(nitrosomethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide?
5-(nitrosomethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(nitrosomethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide is sourced from PubChem (CID 171536131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).