1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide

C18H25N3O3S — CID 22579716

IUPAC1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide
SMILESCCCNC(=O)c1cc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C
InChIInChI=1S/C18H25N3O3S/c1-3-9-19-18(22)17-13-14-12-15(7-8-16(14)20(17)2)25(23,24)21-10-5-4-6-11-21/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,19,22)
InChIKeyZOKYAVMRNJRKEW-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.49
Rot. Bonds5

About 1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide

1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide (PubChem CID 22579716) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide
PubChem CID22579716
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide
SMILESCCCNC(=O)c1cc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C
InChIInChI=1S/C18H25N3O3S/c1-3-9-19-18(22)17-13-14-12-15(7-8-16(14)20(17)2)25(23,24)21-10-5-4-6-11-21/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,19,22)
InChIKeyZOKYAVMRNJRKEW-UHFFFAOYSA-N
XLogP2.49
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide
CID 22579710
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27244612
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone
CID 22579699
5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850
5-(azepan-1-ylsulfonyl)-N-butyl-2-chlorobenzamide
CID 28590824
N-butyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106265
N-butyl-1,5-dimethylindole-2-carboxamide
CID 7329072
1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide
CID 118100925
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
N-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077547
1-(1-ethylindol-5-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 20966183

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide?
The IUPAC name of 1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide (CID 22579716) is 1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide.
What is the SMILES notation for 1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide?
The canonical SMILES for 1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide is CCCNC(=O)c1cc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C.
What is the InChIKey of 1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide?
The InChIKey is ZOKYAVMRNJRKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-3-9-19-18(22)17-13-14-12-15(7-8-16(14)20(17)2)25(23,24)21-10-5-4-6-11-21/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,19,22).
What are the key properties of 1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide?
1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide is sourced from PubChem (CID 22579716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).