2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide

C19H25N3O3S — CID 20918962

IUPAC2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NC1CC1
InChIInChI=1S/C19H25N3O3S/c23-19(20-16-5-6-16)14-21-12-9-15-13-17(7-8-18(15)21)26(24,25)22-10-3-1-2-4-11-22/h7-9,12-13,16H,1-6,10-11,14H2,(H,20,23)
InChIKeyJTSKKLCWQRSCPR-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.48
Rot. Bonds5

About 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide

2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide (PubChem CID 20918962) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide
PubChem CID20918962
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NC1CC1
InChIInChI=1S/C19H25N3O3S/c23-19(20-16-5-6-16)14-21-12-9-15-13-17(7-8-18(15)21)26(24,25)22-10-3-1-2-4-11-22/h7-9,12-13,16H,1-6,10-11,14H2,(H,20,23)
InChIKeyJTSKKLCWQRSCPR-UHFFFAOYSA-N
XLogP2.48
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 46278693
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
CID 98472786
2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid
CID 20888287
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20918968
2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20918800
2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 20918879
(2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 92723149
1-[2-(cyclopentylamino)-2-oxoethyl]indole-5-carboxylic acid
CID 63748060
N-[(1S,2R)-2-methylcyclohexyl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 92505046
N-cyclohexyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992789
N-cycloheptyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 9267746
2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 20918891

Frequently Asked Questions

What is the IUPAC name of 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide (CID 20918962) is 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide is O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NC1CC1.
What is the InChIKey of 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide?
The InChIKey is JTSKKLCWQRSCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c23-19(20-16-5-6-16)14-21-12-9-15-13-17(7-8-18(15)21)26(24,25)22-10-3-1-2-4-11-22/h7-9,12-13,16H,1-6,10-11,14H2,(H,20,23).
What are the key properties of 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide?
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide has a molecular weight of 375.49 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 20918962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).