(2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C21H25N3O5S — CID 30859718

IUPAC(2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1
InChIInChI=1S/C21H25N3O5S/c1-4-22-20(25)13-29-18-8-6-17(7-9-18)23-21(26)15-5-10-19-16(12-15)11-14(2)24(19)30(3,27)28/h5-10,12,14H,4,11,13H2,1-3H3,(H,22,25)(H,23,26)/t14-/m1/s1
InChIKeyGZQOMGAIXOMWIN-CQSZACIVSA-N
MW431.51 g/mol
LogP2.16
Rot. Bonds7

About (2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

(2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 30859718) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is (2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID30859718
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name(2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1
InChIInChI=1S/C21H25N3O5S/c1-4-22-20(25)13-29-18-8-6-17(7-9-18)23-21(26)15-5-10-19-16(12-15)11-14(2)24(19)30(3,27)28/h5-10,12,14H,4,11,13H2,1-3H3,(H,22,25)(H,23,26)/t14-/m1/s1
InChIKeyGZQOMGAIXOMWIN-CQSZACIVSA-N
XLogP2.16
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide with MolForge

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Related Compounds

ethyl 4-[[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 41452649
methyl 4-[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 8777219
N-[4-(difluoromethoxy)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46612241
(2R)-N-(3,4-diethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 42091062
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
(2R)-N-(3,5-dimethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 33142626
(4-benzamidophenyl) 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 55383877
N-(3,4-difluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51200327
(2S)-N-(3,5-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452618
(2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671018
(2S)-N-(3-ethylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 7603095
(2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 52503351

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 30859718) is (2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CCNC(=O)COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is GZQOMGAIXOMWIN-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-4-22-20(25)13-29-18-8-6-17(7-9-18)23-21(26)15-5-10-19-16(12-15)11-14(2)24(19)30(3,27)28/h5-10,12,14H,4,11,13H2,1-3H3,(H,22,25)(H,23,26)/t14-/m1/s1.
What are the key properties of (2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
(2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 30859718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).