N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide

C16H20N2OS — CID 43734480

IUPACN,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide
SMILESCCC(Nc1cccc(C(=O)NC)c1C)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-4-13(15-9-6-10-20-15)18-14-8-5-7-12(11(14)2)16(19)17-3/h5-10,13,18H,4H2,1-3H3,(H,17,19)
InChIKeyWXMIGINMFFUVBM-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.98
Rot. Bonds5

About N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide

N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide (PubChem CID 43734480) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide
PubChem CID43734480
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide
SMILESCCC(Nc1cccc(C(=O)NC)c1C)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-4-13(15-9-6-10-20-15)18-14-8-5-7-12(11(14)2)16(19)17-3/h5-10,13,18H,4H2,1-3H3,(H,17,19)
InChIKeyWXMIGINMFFUVBM-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline
CID 43104270
3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide
CID 64918620
3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 82988987
2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide
CID 114344112
N,2-dimethyl-3-(2-methylbutylamino)benzamide
CID 43734491
2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid
CID 43737318
2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline
CID 61076983
N,2-dimethyl-3-(nonan-2-ylamino)benzamide
CID 43734562
N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide
CID 43692049
4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid
CID 81243701
3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 43706677
3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide
CID 43734592

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide?
The IUPAC name of N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide (CID 43734480) is N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide.
What is the SMILES notation for N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide?
The canonical SMILES for N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide is CCC(Nc1cccc(C(=O)NC)c1C)c1cccs1.
What is the InChIKey of N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide?
The InChIKey is WXMIGINMFFUVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-13(15-9-6-10-20-15)18-14-8-5-7-12(11(14)2)16(19)17-3/h5-10,13,18H,4H2,1-3H3,(H,17,19).
What are the key properties of N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide?
N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide has a molecular weight of 288.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide is sourced from PubChem (CID 43734480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).