2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide

C25H31N3O4S — CID 18563713

IUPAC2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1cc(S(=O)(=O)CC(=O)N(C)c2ccccc2)c2ccccc21)C(C)C
InChIInChI=1S/C25H31N3O4S/c1-18(2)28(19(3)4)24(29)16-27-15-23(21-13-9-10-14-22(21)27)33(31,32)17-25(30)26(5)20-11-7-6-8-12-20/h6-15,18-19H,16-17H2,1-5H3
InChIKeyBSLYIGCKCKZGIG-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.72
Rot. Bonds8

About 2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide

2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 18563713) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID18563713
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1cc(S(=O)(=O)CC(=O)N(C)c2ccccc2)c2ccccc21)C(C)C
InChIInChI=1S/C25H31N3O4S/c1-18(2)28(19(3)4)24(29)16-27-15-23(21-13-9-10-14-22(21)27)33(31,32)17-25(30)26(5)20-11-7-6-8-12-20/h6-15,18-19H,16-17H2,1-5H3
InChIKeyBSLYIGCKCKZGIG-UHFFFAOYSA-N
XLogP3.72
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[2-(diethylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563706
2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563709
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16834544
2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 24891981
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-[(3-nitrophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16834547
N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide
CID 7489774
N-benzyl-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-propan-2-ylacetamide
CID 30559684
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide
CID 21370258
2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563389
N,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563455
2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563369

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide (CID 18563713) is 2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)Cn1cc(S(=O)(=O)CC(=O)N(C)c2ccccc2)c2ccccc21)C(C)C.
What is the InChIKey of 2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is BSLYIGCKCKZGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-18(2)28(19(3)4)24(29)16-27-15-23(21-13-9-10-14-22(21)27)33(31,32)17-25(30)26(5)20-11-7-6-8-12-20/h6-15,18-19H,16-17H2,1-5H3.
What are the key properties of 2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 469.61 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 18563713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).