(2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide

C22H25N3O3S — CID 52503351

IUPAC(2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide
SMILESCCCn1ccc2cc(NC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)ccc21
InChIInChI=1S/C22H25N3O3S/c1-4-10-24-11-9-16-14-19(6-8-20(16)24)23-22(26)17-5-7-21-18(13-17)12-15(2)25(21)29(3,27)28/h5-9,11,13-15H,4,10,12H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyYTKBPTDIBOQFOJ-OAHLLOKOSA-N
MW411.53 g/mol
LogP4.01
Rot. Bonds5

About (2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide

(2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide (PubChem CID 52503351) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is (2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide
PubChem CID52503351
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name(2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide
SMILESCCCn1ccc2cc(NC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)ccc21
InChIInChI=1S/C22H25N3O3S/c1-4-10-24-11-9-16-14-19(6-8-20(16)24)23-22(26)17-5-7-21-18(13-17)12-15(2)25(21)29(3,27)28/h5-9,11,13-15H,4,10,12H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyYTKBPTDIBOQFOJ-OAHLLOKOSA-N
XLogP4.01
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452658
N-(3,4-difluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51200327
(2R)-N-(3,4-diethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 42091062
(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
CID 27700275
ethyl 4-[[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 41452649
(2S)-N-(3-ethylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 7603095
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
methyl 4-[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 8777219
(2R)-N-(3,5-dimethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 33142626
(2S)-N-(3,5-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452618
(2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 30859718
2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 78808548

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide (CID 52503351) is (2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide is CCCn1ccc2cc(NC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)ccc21.
What is the InChIKey of (2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is YTKBPTDIBOQFOJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-4-10-24-11-9-16-14-19(6-8-20(16)24)23-22(26)17-5-7-21-18(13-17)12-15(2)25(21)29(3,27)28/h5-9,11,13-15H,4,10,12H2,1-3H3,(H,23,26)/t15-/m1/s1.
What are the key properties of (2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide?
(2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 52503351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).