2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide

C16H18N2OS — CID 62508692

IUPAC2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCc1ccc(N)c(C(=O)N(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C16H18N2OS/c1-11-2-5-15(17)14(8-11)16(19)18(13-3-4-13)9-12-6-7-20-10-12/h2,5-8,10,13H,3-4,9,17H2,1H3
InChIKeyKDTQNRKUIVABRQ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.44
Rot. Bonds4

About 2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide

2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 62508692) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide
PubChem CID62508692
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCc1ccc(N)c(C(=O)N(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C16H18N2OS/c1-11-2-5-15(17)14(8-11)16(19)18(13-3-4-13)9-12-6-7-20-10-12/h2,5-8,10,13H,3-4,9,17H2,1H3
InChIKeyKDTQNRKUIVABRQ-UHFFFAOYSA-N
XLogP3.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide
CID 51055390
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 55138412
4-amino-N-cyclopropyl-6-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 81240954
2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 55175065
2-amino-5-[cyclopropyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 61438876
4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 61433686
2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 61433464
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
N-cyclopropyl-4-hydrazinyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 81255572
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 72717897
4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 61433687

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide (CID 62508692) is 2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide is Cc1ccc(N)c(C(=O)N(Cc2ccsc2)C2CC2)c1.
What is the InChIKey of 2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is KDTQNRKUIVABRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-2-5-15(17)14(8-11)16(19)18(13-3-4-13)9-12-6-7-20-10-12/h2,5-8,10,13H,3-4,9,17H2,1H3.
What are the key properties of 2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide?
2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 286.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 62508692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).