3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide

C16H21N3OS — CID 82990505

IUPAC3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide
SMILESCC(Cc1cccs1)Nc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C16H21N3OS/c1-11(9-13-5-4-8-21-13)18-15-7-6-12(10-14(15)17)16(20)19(2)3/h4-8,10-11,18H,9,17H2,1-3H3
InChIKeyWEJFKVYDVRHYFA-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.08
Rot. Bonds5

About 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide

3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide (PubChem CID 82990505) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide
PubChem CID82990505
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide
SMILESCC(Cc1cccs1)Nc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C16H21N3OS/c1-11(9-13-5-4-8-21-13)18-15-7-6-12(10-14(15)17)16(20)19(2)3/h4-8,10-11,18H,9,17H2,1-3H3
InChIKeyWEJFKVYDVRHYFA-UHFFFAOYSA-N
XLogP3.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.08
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

3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
CID 82989916
3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide
CID 82992217
4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide
CID 63361091
3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide
CID 82990775
3-chloro-4-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid
CID 63293665
3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide
CID 82990216
4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine
CID 103590392
4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide
CID 79476281
3-bromo-4-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide
CID 82804851
5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile
CID 55170409
4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
CID 63361212
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide (CID 82990505) is 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide is CC(Cc1cccs1)Nc1ccc(C(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide?
The InChIKey is WEJFKVYDVRHYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11(9-13-5-4-8-21-13)18-15-7-6-12(10-14(15)17)16(20)19(2)3/h4-8,10-11,18H,9,17H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide?
3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide has a molecular weight of 303.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide is sourced from PubChem (CID 82990505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).