5-(dimethylsulfamoyl)-1-methyl-N-[(2S)-4-phenylbutan-2-yl]indole-2-carboxamide

C22H27N3O3S — CID 93076590

IUPAC5-(dimethylsulfamoyl)-1-methyl-N-[(2S)-4-phenylbutan-2-yl]indole-2-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1C
InChIInChI=1S/C22H27N3O3S/c1-16(10-11-17-8-6-5-7-9-17)23-22(26)21-15-18-14-19(29(27,28)24(2)3)12-13-20(18)25(21)4/h5-9,12-16H,10-11H2,1-4H3,(H,23,26)/t16-/m0/s1
InChIKeyUEBMGMKDGBDATG-INIZCTEOSA-N
MW413.54 g/mol
LogP3.18
Rot. Bonds7

About 5-(dimethylsulfamoyl)-1-methyl-N-[(2S)-4-phenylbutan-2-yl]indole-2-carboxamide

5-(dimethylsulfamoyl)-1-methyl-N-[(2S)-4-phenylbutan-2-yl]indole-2-carboxamide (PubChem CID 93076590) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-1-methyl-N-[(2S)-4-phenylbutan-2-yl]indole-2-carboxamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-1-methyl-N-[(2S)-4-phenylbutan-2-yl]indole-2-carboxamide
PubChem CID93076590
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name5-(dimethylsulfamoyl)-1-methyl-N-[(2S)-4-phenylbutan-2-yl]indole-2-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1C
InChIInChI=1S/C22H27N3O3S/c1-16(10-11-17-8-6-5-7-9-17)23-22(26)21-15-18-14-19(29(27,28)24(2)3)12-13-20(18)25(21)4/h5-9,12-16H,10-11H2,1-4H3,(H,23,26)/t16-/m0/s1
InChIKeyUEBMGMKDGBDATG-INIZCTEOSA-N
XLogP3.18
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7828980
5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 50802022
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentan-2-ylpropanamide
CID 17479981
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 26202172
5-(dimethylsulfamoyl)-1-ethyl-N-(2-phenylpropyl)indole-2-carboxamide
CID 50801974
N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide
CID 119129540
4-[dimethylsulfamoyl(methyl)amino]-N-(4-phenylbutan-2-yl)benzamide
CID 132763060
1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide
CID 50801822
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide
CID 4132778
1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 50802080
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111171683
1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide
CID 50801746

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-1-methyl-N-[(2S)-4-phenylbutan-2-yl]indole-2-carboxamide?
The IUPAC name of 5-(dimethylsulfamoyl)-1-methyl-N-[(2S)-4-phenylbutan-2-yl]indole-2-carboxamide (CID 93076590) is 5-(dimethylsulfamoyl)-1-methyl-N-[(2S)-4-phenylbutan-2-yl]indole-2-carboxamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-1-methyl-N-[(2S)-4-phenylbutan-2-yl]indole-2-carboxamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-1-methyl-N-[(2S)-4-phenylbutan-2-yl]indole-2-carboxamide is C[C@@H](CCc1ccccc1)NC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1C.
What is the InChIKey of 5-(dimethylsulfamoyl)-1-methyl-N-[(2S)-4-phenylbutan-2-yl]indole-2-carboxamide?
The InChIKey is UEBMGMKDGBDATG-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-16(10-11-17-8-6-5-7-9-17)23-22(26)21-15-18-14-19(29(27,28)24(2)3)12-13-20(18)25(21)4/h5-9,12-16H,10-11H2,1-4H3,(H,23,26)/t16-/m0/s1.
What are the key properties of 5-(dimethylsulfamoyl)-1-methyl-N-[(2S)-4-phenylbutan-2-yl]indole-2-carboxamide?
5-(dimethylsulfamoyl)-1-methyl-N-[(2S)-4-phenylbutan-2-yl]indole-2-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-1-methyl-N-[(2S)-4-phenylbutan-2-yl]indole-2-carboxamide is sourced from PubChem (CID 93076590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).