N-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide

C14H21N3O3S — CID 77008814

IUPACN-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC(C)(CNC(=O)C1Cc2ccccc2N1)NS(C)(=O)=O
InChIInChI=1S/C14H21N3O3S/c1-14(2,17-21(3,19)20)9-15-13(18)12-8-10-6-4-5-7-11(10)16-12/h4-7,12,16-17H,8-9H2,1-3H3,(H,15,18)
InChIKeyWTYYZEAGMUPVIW-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.47
Rot. Bonds5

About N-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide

N-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 77008814) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID77008814
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC(C)(CNC(=O)C1Cc2ccccc2N1)NS(C)(=O)=O
InChIInChI=1S/C14H21N3O3S/c1-14(2,17-21(3,19)20)9-15-13(18)12-8-10-6-4-5-7-11(10)16-12/h4-7,12,16-17H,8-9H2,1-3H3,(H,15,18)
InChIKeyWTYYZEAGMUPVIW-UHFFFAOYSA-N
XLogP0.47
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 65106564
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921
N-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide
CID 103287754
(2S)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 106148329
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride
CID 67874407
(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 64599096
3-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpropanoic acid
CID 54462725
N-[2-(cyclopropylamino)-2-oxoethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76893355
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
(2S)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106188200
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 77008814) is N-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide is CC(C)(CNC(=O)C1Cc2ccccc2N1)NS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is WTYYZEAGMUPVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-14(2,17-21(3,19)20)9-15-13(18)12-8-10-6-4-5-7-11(10)16-12/h4-7,12,16-17H,8-9H2,1-3H3,(H,15,18).
What are the key properties of N-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide?
N-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 77008814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).