N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide

C16H19NOS — CID 134029193

IUPACN-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1cc2ccccc2s1
InChIInChI=1S/C16H19NOS/c1-2-9-17(11-12-7-8-12)16(18)15-10-13-5-3-4-6-14(13)19-15/h3-6,10,12H,2,7-9,11H2,1H3
InChIKeyOKVRQLCTZFRNBF-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.16
Rot. Bonds5

About N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide

N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide (PubChem CID 134029193) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide
PubChem CID134029193
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1cc2ccccc2s1
InChIInChI=1S/C16H19NOS/c1-2-9-17(11-12-7-8-12)16(18)15-10-13-5-3-4-6-14(13)19-15/h3-6,10,12H,2,7-9,11H2,1H3
InChIKeyOKVRQLCTZFRNBF-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(cyclopropylmethyl)-N-ethyl-1-benzothiophene-2-carboxamide
CID 63954077
N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide
CID 61406378
N-(cyclopropylmethyl)-3-hydroxy-N-propylnaphthalene-2-carboxamide
CID 60654196
5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid
CID 60722178
N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide
CID 86991083
5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 115994032
N-(cyclopropylmethyl)-5-methyl-N-propyl-4-sulfamoylthiophene-2-carboxamide
CID 115612410
2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 60637824
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 62860747
N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide
CID 107024680
1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea
CID 3853598

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide (CID 134029193) is N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide is CCCN(CC1CC1)C(=O)c1cc2ccccc2s1.
What is the InChIKey of N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide?
The InChIKey is OKVRQLCTZFRNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-2-9-17(11-12-7-8-12)16(18)15-10-13-5-3-4-6-14(13)19-15/h3-6,10,12H,2,7-9,11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide?
N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide has a molecular weight of 273.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 134029193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).