2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide

C21H31N3O4S — CID 18563709

IUPAC2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCCCNC(=O)CS(=O)(=O)c1cn(CC(=O)N(C(C)C)C(C)C)c2ccccc12
InChIInChI=1S/C21H31N3O4S/c1-6-11-22-20(25)14-29(27,28)19-12-23(18-10-8-7-9-17(18)19)13-21(26)24(15(2)3)16(4)5/h7-10,12,15-16H,6,11,13-14H2,1-5H3,(H,22,25)
InChIKeyIWAZLZADBZNFQR-UHFFFAOYSA-N
MW421.56 g/mol
LogP2.59
Rot. Bonds9

About 2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide

2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 18563709) has the molecular formula C21H31N3O4S and a molecular weight of 421.56 g/mol. Its IUPAC name is 2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID18563709
Molecular FormulaC21H31N3O4S
Molecular Weight421.56 g/mol
Exact Mass421.20
IUPAC Name2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCCCNC(=O)CS(=O)(=O)c1cn(CC(=O)N(C(C)C)C(C)C)c2ccccc12
InChIInChI=1S/C21H31N3O4S/c1-6-11-22-20(25)14-29(27,28)19-12-23(18-10-8-7-9-17(18)19)13-21(26)24(15(2)3)16(4)5/h7-10,12,15-16H,6,11,13-14H2,1-5H3,(H,22,25)
InChIKeyIWAZLZADBZNFQR-UHFFFAOYSA-N
XLogP2.59
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[2-(diethylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563706
2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563713
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16834544
2-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563696
2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
CID 30558630
N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide
CID 7489774
2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 24891981
2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563392
2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563389
2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563369
2-[3-[(3-nitrophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16834547
2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide
CID 18563683

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide (CID 18563709) is 2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide is CCCNC(=O)CS(=O)(=O)c1cn(CC(=O)N(C(C)C)C(C)C)c2ccccc12.
What is the InChIKey of 2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is IWAZLZADBZNFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4S/c1-6-11-22-20(25)14-29(27,28)19-12-23(18-10-8-7-9-17(18)19)13-21(26)24(15(2)3)16(4)5/h7-10,12,15-16H,6,11,13-14H2,1-5H3,(H,22,25).
What are the key properties of 2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 421.56 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 18563709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).