2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide

C16H18N2O2S — CID 81393720

IUPAC2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1cccc(N)c1C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H18N2O2S/c1-20-14-6-2-5-13(17)15(14)16(19)18(11-7-8-11)10-12-4-3-9-21-12/h2-6,9,11H,7-8,10,17H2,1H3
InChIKeyBUWKPEUSVMQDSU-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.14
Rot. Bonds5

About 2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide

2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 81393720) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID81393720
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1cccc(N)c1C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H18N2O2S/c1-20-14-6-2-5-13(17)15(14)16(19)18(11-7-8-11)10-12-4-3-9-21-12/h2-6,9,11H,7-8,10,17H2,1H3
InChIKeyBUWKPEUSVMQDSU-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-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61106307
2-amino-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 81420517
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2,6-dimethoxybenzamide
CID 1059668
4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 78987908
2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate
CID 81413803
(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134004442
N-cyclopropyl-5-(methoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 78852303
trans-(1S,2S)-N-cyclopropyl-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 95142348
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 82795082
3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 61107791
N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide
CID 55581078

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide (CID 81393720) is 2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide is COc1cccc(N)c1C(=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is BUWKPEUSVMQDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-20-14-6-2-5-13(17)15(14)16(19)18(11-7-8-11)10-12-4-3-9-21-12/h2-6,9,11H,7-8,10,17H2,1H3.
What are the key properties of 2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide?
2-amino-N-cyclopropyl-6-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 2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 81393720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).