N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide

C16H17NOS — CID 51296320

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(NC(=O)c2cccs2)C2CC2)cc1
InChIInChI=1S/C16H17NOS/c1-11-4-6-12(7-5-11)15(13-8-9-13)17-16(18)14-3-2-10-19-14/h2-7,10,13,15H,8-9H2,1H3,(H,17,18)
InChIKeySDYMVHPROXYJQH-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.94
Rot. Bonds4

About N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide

N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 51296320) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide
PubChem CID51296320
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(NC(=O)c2cccs2)C2CC2)cc1
InChIInChI=1S/C16H17NOS/c1-11-4-6-12(7-5-11)15(13-8-9-13)17-16(18)14-3-2-10-19-14/h2-7,10,13,15H,8-9H2,1H3,(H,17,18)
InChIKeySDYMVHPROXYJQH-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
N-[1-[[(4-bromophenyl)-cyclobutylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55978681
5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 86975241
6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119179983
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 91772790
N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 39612740
N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide
CID 92500192
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide
CID 129471925
N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 6468570
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 47016466
N-[cyclopropyl-(4-methylphenyl)methyl]-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46527863

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide (CID 51296320) is N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide is Cc1ccc(C(NC(=O)c2cccs2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is SDYMVHPROXYJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-11-4-6-12(7-5-11)15(13-8-9-13)17-16(18)14-3-2-10-19-14/h2-7,10,13,15H,8-9H2,1H3,(H,17,18).
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide?
N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 271.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 51296320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).