[5-chloro-2-(2,2-dimethylpropylamino)thiophen-3-yl]-(2-chlorophenyl)methanone

C16H17Cl2NOS — CID 21465909

IUPAC[5-chloro-2-(2,2-dimethylpropylamino)thiophen-3-yl]-(2-chlorophenyl)methanone
SMILESCC(C)(C)CNc1sc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C16H17Cl2NOS/c1-16(2,3)9-19-15-11(8-13(18)21-15)14(20)10-6-4-5-7-12(10)17/h4-8,19H,9H2,1-3H3
InChIKeyUBAXLUCBTODWPW-UHFFFAOYSA-N
MW342.29 g/mol
LogP5.74
Rot. Bonds4

About [5-chloro-2-(2,2-dimethylpropylamino)thiophen-3-yl]-(2-chlorophenyl)methanone

[5-chloro-2-(2,2-dimethylpropylamino)thiophen-3-yl]-(2-chlorophenyl)methanone (PubChem CID 21465909) has the molecular formula C16H17Cl2NOS and a molecular weight of 342.29 g/mol. Its IUPAC name is [5-chloro-2-(2,2-dimethylpropylamino)thiophen-3-yl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(2,2-dimethylpropylamino)thiophen-3-yl]-(2-chlorophenyl)methanone
PubChem CID21465909
Molecular FormulaC16H17Cl2NOS
Molecular Weight342.29 g/mol
Exact Mass341.04
IUPAC Name[5-chloro-2-(2,2-dimethylpropylamino)thiophen-3-yl]-(2-chlorophenyl)methanone
SMILESCC(C)(C)CNc1sc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C16H17Cl2NOS/c1-16(2,3)9-19-15-11(8-13(18)21-15)14(20)10-6-4-5-7-12(10)17/h4-8,19H,9H2,1-3H3
InChIKeyUBAXLUCBTODWPW-UHFFFAOYSA-N
XLogP5.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.29
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-tert-butylphenyl)-(2-chlorophenyl)methanone
CID 14145194
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194
ethyl 5-[(2-chloroacetyl)amino]-4-(2-chlorobenzoyl)thiophene-2-carboxylate
CID 19085208
(2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone
CID 43344791
4-tert-butyl-2-(2-chlorobenzoyl)benzoic acid
CID 7730192
2-amino-1-(2-chlorophenyl)-2-methylpropan-1-one
CID 82282086
2-chloro-N-[3-chloro-4-(2-chlorobenzoyl)phenyl]acetamide
CID 20507585
N-(2-amino-2-methylpropyl)-2,5-dichlorothiophene-3-carboxamide
CID 103807484
(2-chlorophenyl)-(2-fluoro-4-methylphenyl)methanone
CID 114963346
2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide
CID 17422374
(2,4-dichlorophenyl)-(2-ethylphenyl)methanone
CID 79020257
(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43344763

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2,2-dimethylpropylamino)thiophen-3-yl]-(2-chlorophenyl)methanone?
The IUPAC name of [5-chloro-2-(2,2-dimethylpropylamino)thiophen-3-yl]-(2-chlorophenyl)methanone (CID 21465909) is [5-chloro-2-(2,2-dimethylpropylamino)thiophen-3-yl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [5-chloro-2-(2,2-dimethylpropylamino)thiophen-3-yl]-(2-chlorophenyl)methanone?
The canonical SMILES for [5-chloro-2-(2,2-dimethylpropylamino)thiophen-3-yl]-(2-chlorophenyl)methanone is CC(C)(C)CNc1sc(Cl)cc1C(=O)c1ccccc1Cl.
What is the InChIKey of [5-chloro-2-(2,2-dimethylpropylamino)thiophen-3-yl]-(2-chlorophenyl)methanone?
The InChIKey is UBAXLUCBTODWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NOS/c1-16(2,3)9-19-15-11(8-13(18)21-15)14(20)10-6-4-5-7-12(10)17/h4-8,19H,9H2,1-3H3.
What are the key properties of [5-chloro-2-(2,2-dimethylpropylamino)thiophen-3-yl]-(2-chlorophenyl)methanone?
[5-chloro-2-(2,2-dimethylpropylamino)thiophen-3-yl]-(2-chlorophenyl)methanone has a molecular weight of 342.29 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2,2-dimethylpropylamino)thiophen-3-yl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 21465909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).