(2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide

C17H18N2OS — CID 61164482

IUPAC(2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C([C@@H]1Cc2ccccc2N1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C17H18N2OS/c20-17(16-10-12-4-1-2-6-15(12)18-16)19(13-7-8-13)11-14-5-3-9-21-14/h1-6,9,13,16,18H,7-8,10-11H2/t16-/m0/s1
InChIKeyNHIKNGZKQQHIEA-INIZCTEOSA-N
MW298.41 g/mol
LogP3.28
Rot. Bonds4

About (2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61164482) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61164482
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name(2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C([C@@H]1Cc2ccccc2N1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C17H18N2OS/c20-17(16-10-12-4-1-2-6-15(12)18-16)19(13-7-8-13)11-14-5-3-9-21-14/h1-6,9,13,16,18H,7-8,10-11H2/t16-/m0/s1
InChIKeyNHIKNGZKQQHIEA-INIZCTEOSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155358
2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid
CID 76894224
N-cyclopropyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 54870571
ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate
CID 76894982
N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134004472
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
(1S,6R)-6-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962163
(3S)-N-methyl-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896139
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
(2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61163081
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 61164482) is (2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide is O=C([C@@H]1Cc2ccccc2N1)N(Cc1cccs1)C1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is NHIKNGZKQQHIEA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2OS/c20-17(16-10-12-4-1-2-6-15(12)18-16)19(13-7-8-13)11-14-5-3-9-21-14/h1-6,9,13,16,18H,7-8,10-11H2/t16-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61164482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).