3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide

C14H15ClN2OS — CID 112575891

IUPAC3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(Cc1cccs1)NC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C14H15ClN2OS/c1-9(8-10-4-3-7-19-10)17-14(18)11-5-2-6-12(16)13(11)15/h2-7,9H,8,16H2,1H3,(H,17,18)
InChIKeyMTSJVYZLIQQCQA-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.34
Rot. Bonds4

About 3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide

3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide (PubChem CID 112575891) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
PubChem CID112575891
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(Cc1cccs1)NC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C14H15ClN2OS/c1-9(8-10-4-3-7-19-10)17-14(18)11-5-2-6-12(16)13(11)15/h2-7,9H,8,16H2,1H3,(H,17,18)
InChIKeyMTSJVYZLIQQCQA-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 115540690
3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide
CID 115930534
3-chloro-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330910
5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide
CID 115330850
2-(ethylamino)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63107914
4-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 43705091
2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 107358824
2-(ethylamino)-3-fluoro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63295814
3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 18711929
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
2,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-indole-7-carboxamide
CID 42461714
4-fluoro-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 112702369

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide (CID 112575891) is 3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide is CC(Cc1cccs1)NC(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The InChIKey is MTSJVYZLIQQCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9(8-10-4-3-7-19-10)17-14(18)11-5-2-6-12(16)13(11)15/h2-7,9H,8,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide has a molecular weight of 294.81 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 112575891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).