N-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide

C17H20N2OS — CID 80563360

IUPACN-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESCC(C)N(Cc1cccs1)C(=O)C1CNc2ccccc21
InChIInChI=1S/C17H20N2OS/c1-12(2)19(11-13-6-5-9-21-13)17(20)15-10-18-16-8-4-3-7-14(15)16/h3-9,12,15,18H,10-11H2,1-2H3
InChIKeyQUHMZDBXXOPUKL-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.69
Rot. Bonds4

About N-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide

N-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80563360) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80563360
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESCC(C)N(Cc1cccs1)C(=O)C1CNc2ccccc21
InChIInChI=1S/C17H20N2OS/c1-12(2)19(11-13-6-5-9-21-13)17(20)15-10-18-16-8-4-3-7-14(15)16/h3-9,12,15,18H,10-11H2,1-2H3
InChIKeyQUHMZDBXXOPUKL-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565285
2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid
CID 80565595
thiophen-2-ylmethyl 2,3-dihydro-1H-indole-3-carboxylate
CID 80565822
3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid
CID 80566466
2-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975012
4-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390819
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61452567
2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64835236
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 63044895
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide (CID 80563360) is N-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide is CC(C)N(Cc1cccs1)C(=O)C1CNc2ccccc21.
What is the InChIKey of N-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is QUHMZDBXXOPUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12(2)19(11-13-6-5-9-21-13)17(20)15-10-18-16-8-4-3-7-14(15)16/h3-9,12,15,18H,10-11H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
N-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80563360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).