4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide

C15H17N3OS — CID 63356225

IUPAC4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide
SMILESNC(=O)c1ccc(N)c(N(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C15H17N3OS/c16-13-6-3-10(15(17)19)8-14(13)18(11-4-5-11)9-12-2-1-7-20-12/h1-3,6-8,11H,4-5,9,16H2,(H2,17,19)
InChIKeyXNHNLVCHMMXSHF-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.60
Rot. Bonds5

About 4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide

4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide (PubChem CID 63356225) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide
PubChem CID63356225
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide
SMILESNC(=O)c1ccc(N)c(N(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C15H17N3OS/c16-13-6-3-10(15(17)19)8-14(13)18(11-4-5-11)9-12-2-1-7-20-12/h1-3,6-8,11H,4-5,9,16H2,(H2,17,19)
InChIKeyXNHNLVCHMMXSHF-UHFFFAOYSA-N
XLogP2.60
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[benzyl(cyclopropyl)amino]benzamide
CID 63356232
4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
CID 55190702
4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 61450921
4-bromo-1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61451094
4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide
CID 79476281
1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone
CID 61449250
3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 61107791
3-N-cyclopropyl-2-nitro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
CID 80779246
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid
CID 62515880
1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61451030
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286907
1-[4-bromo-2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]ethanone
CID 82966803

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide?
The IUPAC name of 4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide (CID 63356225) is 4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide.
What is the SMILES notation for 4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide?
The canonical SMILES for 4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide is NC(=O)c1ccc(N)c(N(Cc2cccs2)C2CC2)c1.
What is the InChIKey of 4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide?
The InChIKey is XNHNLVCHMMXSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c16-13-6-3-10(15(17)19)8-14(13)18(11-4-5-11)9-12-2-1-7-20-12/h1-3,6-8,11H,4-5,9,16H2,(H2,17,19).
What are the key properties of 4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide?
4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide has a molecular weight of 287.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide is sourced from PubChem (CID 63356225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).