4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide

C16H21N3OS — CID 63357349

IUPAC4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide
SMILESCCCC(Nc1cc(C(=O)NC)ccc1N)c1cccs1
InChIInChI=1S/C16H21N3OS/c1-3-5-13(15-6-4-9-21-15)19-14-10-11(16(20)18-2)7-8-12(14)17/h4,6-10,13,19H,3,5,17H2,1-2H3,(H,18,20)
InChIKeyHUUNEGAHCGUXQT-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.64
Rot. Bonds6

About 4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide

4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide (PubChem CID 63357349) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide
PubChem CID63357349
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide
SMILESCCCC(Nc1cc(C(=O)NC)ccc1N)c1cccs1
InChIInChI=1S/C16H21N3OS/c1-3-5-13(15-6-4-9-21-15)19-14-10-11(16(20)18-2)7-8-12(14)17/h4,6-10,13,19H,3,5,17H2,1-2H3,(H,18,20)
InChIKeyHUUNEGAHCGUXQT-UHFFFAOYSA-N
XLogP3.64
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 82988987
4-amino-3-(1-hydroxybutan-2-ylamino)-N-methylbenzamide
CID 63357122
4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide
CID 63357348
4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 65343285
4-amino-3-(1-thiophen-2-ylethylamino)benzoic acid
CID 82785458
4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
CID 62173495
4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 55190178
4-bromo-2-(1-thiophen-2-ylbutylamino)benzoic acid
CID 114907313
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
methyl 4-amino-3-(1-thiophen-2-ylethylamino)benzoate
CID 82785539
methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate
CID 114405921
2-(difluoromethyl)-1-N-(1-thiophen-2-ylbutyl)benzene-1,4-diamine
CID 63734265

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide?
The IUPAC name of 4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide (CID 63357349) is 4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide?
The canonical SMILES for 4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide is CCCC(Nc1cc(C(=O)NC)ccc1N)c1cccs1.
What is the InChIKey of 4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide?
The InChIKey is HUUNEGAHCGUXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-5-13(15-6-4-9-21-15)19-14-10-11(16(20)18-2)7-8-12(14)17/h4,6-10,13,19H,3,5,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide?
4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide has a molecular weight of 303.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide is sourced from PubChem (CID 63357349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).