3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide

C16H18N2O2S — CID 61106307

IUPAC3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1N
InChIInChI=1S/C16H18N2O2S/c1-20-15-7-4-11(9-14(15)17)16(19)18(12-5-6-12)10-13-3-2-8-21-13/h2-4,7-9,12H,5-6,10,17H2,1H3
InChIKeyWBMWBUDHBFVSMO-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.14
Rot. Bonds5

About 3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide

3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 61106307) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID61106307
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1N
InChIInChI=1S/C16H18N2O2S/c1-20-15-7-4-11(9-14(15)17)16(19)18(12-5-6-12)10-13-3-2-8-21-13/h2-4,7-9,12H,5-6,10,17H2,1H3
InChIKeyWBMWBUDHBFVSMO-UHFFFAOYSA-N
XLogP3.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 61107791
2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 81393720
N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide
CID 55581078
4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 78987908
3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 55599647
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024795
N-cyclopropyl-4-methyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)benzamide
CID 37484000
N-cyclopropyl-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 75461213
3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 37484481
N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62242780

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide (CID 61106307) is 3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide is COc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1N.
What is the InChIKey of 3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is WBMWBUDHBFVSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-20-15-7-4-11(9-14(15)17)16(19)18(12-5-6-12)10-13-3-2-8-21-13/h2-4,7-9,12H,5-6,10,17H2,1H3.
What are the key properties of 3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 302.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 61106307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).