2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide

C21H29N3O4S — CID 18563389

IUPAC2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)NC2CCCC2)c2ccccc21
InChIInChI=1S/C21H29N3O4S/c1-3-23(4-2)21(26)14-24-13-19(17-11-7-8-12-18(17)24)29(27,28)15-20(25)22-16-9-5-6-10-16/h7-8,11-13,16H,3-6,9-10,14-15H2,1-2H3,(H,22,25)
InChIKeyDQOMVMKVQIJEMX-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.34
Rot. Bonds8

About 2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide

2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide (PubChem CID 18563389) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
PubChem CID18563389
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)NC2CCCC2)c2ccccc21
InChIInChI=1S/C21H29N3O4S/c1-3-23(4-2)21(26)14-24-13-19(17-11-7-8-12-18(17)24)29(27,28)15-20(25)22-16-9-5-6-10-16/h7-8,11-13,16H,3-6,9-10,14-15H2,1-2H3,(H,22,25)
InChIKeyDQOMVMKVQIJEMX-UHFFFAOYSA-N
XLogP2.34
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide
CID 7489774
2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902364
2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563369
2-[3-[2-(diethylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563706
2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563392
N,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563455
N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559488
2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide
CID 30554001
2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563709
2-[3-[(3,4-dichlorophenyl)methylsulfonyl]indol-1-yl]-N,N-diethylacetamide
CID 16834478
N,N-diethyl-2-[3-[(4-nitrophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 16834477
2-(3-benzylsulfonylindol-1-yl)-N-butyl-N-ethylacetamide
CID 30558551

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide (CID 18563389) is 2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)NC2CCCC2)c2ccccc21.
What is the InChIKey of 2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide?
The InChIKey is DQOMVMKVQIJEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-3-23(4-2)21(26)14-24-13-19(17-11-7-8-12-18(17)24)29(27,28)15-20(25)22-16-9-5-6-10-16/h7-8,11-13,16H,3-6,9-10,14-15H2,1-2H3,(H,22,25).
What are the key properties of 2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide?
2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide has a molecular weight of 419.55 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 18563389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).