N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide

C15H16N2OS — CID 43687516

IUPACN-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide
SMILESO=C(NC1CC1)c1ccc(NCc2ccsc2)cc1
InChIInChI=1S/C15H16N2OS/c18-15(17-14-5-6-14)12-1-3-13(4-2-12)16-9-11-7-8-19-10-11/h1-4,7-8,10,14,16H,5-6,9H2,(H,17,18)
InChIKeyANBADBDRKJNELF-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.25
Rot. Bonds5

About N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide

N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide (PubChem CID 43687516) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide
PubChem CID43687516
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide
SMILESO=C(NC1CC1)c1ccc(NCc2ccsc2)cc1
InChIInChI=1S/C15H16N2OS/c18-15(17-14-5-6-14)12-1-3-13(4-2-12)16-9-11-7-8-19-10-11/h1-4,7-8,10,14,16H,5-6,9H2,(H,17,18)
InChIKeyANBADBDRKJNELF-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide
CID 75390351
N-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-thiophen-3-ylethylamino)benzamide
CID 154873730
4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide
CID 115379931
N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide
CID 38397536
N,N-dimethyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43681971
4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide
CID 79611124
N-cyclopentyl-4-thiophen-3-ylbenzamide
CID 20974787
N-cyclopropyl-4-(pentylamino)benzamide
CID 43687480
N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide
CID 79111056
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
N-cyclohexyl-4-thiophen-3-ylbenzamide
CID 20974786
4-(ethylamino)-N-(2-thiophen-3-ylethyl)benzamide
CID 62173994

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide?
The IUPAC name of N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide (CID 43687516) is N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide?
The canonical SMILES for N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide is O=C(NC1CC1)c1ccc(NCc2ccsc2)cc1.
What is the InChIKey of N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide?
The InChIKey is ANBADBDRKJNELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-15(17-14-5-6-14)12-1-3-13(4-2-12)16-9-11-7-8-19-10-11/h1-4,7-8,10,14,16H,5-6,9H2,(H,17,18).
What are the key properties of N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide?
N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide has a molecular weight of 272.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide is sourced from PubChem (CID 43687516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).