N-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide

C17H16N2OS — CID 39335113

IUPACN-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1cccc2[nH]ccc12)C1CC1
InChIInChI=1S/C17H16N2OS/c20-17(16-5-2-10-21-16)19(13-6-7-13)11-12-3-1-4-15-14(12)8-9-18-15/h1-5,8-10,13,18H,6-7,11H2
InChIKeyBFOVLSDXQLDHDB-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.03
Rot. Bonds4

About N-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide

N-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 39335113) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is N-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide
PubChem CID39335113
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC NameN-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1cccc2[nH]ccc12)C1CC1
InChIInChI=1S/C17H16N2OS/c20-17(16-5-2-10-21-16)19(13-6-7-13)11-12-3-1-4-15-14(12)8-9-18-15/h1-5,8-10,13,18H,6-7,11H2
InChIKeyBFOVLSDXQLDHDB-UHFFFAOYSA-N
XLogP4.03
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide
CID 1169748
N-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide
CID 39341773
N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 11525168
2-(4-chlorophenoxy)-N-cyclopropyl-N-(1H-indol-4-ylmethyl)acetamide
CID 39338521
2-[cyclopentyl(1H-indol-4-ylmethyl)amino]acetamide
CID 84593179
N-[(2-amino-3,5-dibromophenyl)methyl]-N-(4-hydroxycyclohexyl)thiophene-2-carboxamide
CID 165341857
N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 60733247
[4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2802635
N-cyclopentyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 60738271
2,3-dihydroxy-N-(1H-indol-4-ylmethyl)-N-methylbenzamide
CID 122149826
methyl 2-[[cyclopropyl(thiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 810949
N-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide
CID 102866453

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide (CID 39335113) is N-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide is O=C(c1cccs1)N(Cc1cccc2[nH]ccc12)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is BFOVLSDXQLDHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-17(16-5-2-10-21-16)19(13-6-7-13)11-12-3-1-4-15-14(12)8-9-18-15/h1-5,8-10,13,18H,6-7,11H2.
What are the key properties of N-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide?
N-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 39335113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).