[2-amino-4-(2,2-dimethylpropyl)thiophen-3-yl]-(4-chlorophenyl)methanone

C16H18ClNOS — CID 73057072

IUPAC[2-amino-4-(2,2-dimethylpropyl)thiophen-3-yl]-(4-chlorophenyl)methanone
SMILESCC(C)(C)Cc1csc(N)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNOS/c1-16(2,3)8-11-9-20-15(18)13(11)14(19)10-4-6-12(17)7-5-10/h4-7,9H,8,18H2,1-3H3
InChIKeyIVOYQGMHPBIQFF-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.80
Rot. Bonds3

About [2-amino-4-(2,2-dimethylpropyl)thiophen-3-yl]-(4-chlorophenyl)methanone

[2-amino-4-(2,2-dimethylpropyl)thiophen-3-yl]-(4-chlorophenyl)methanone (PubChem CID 73057072) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is [2-amino-4-(2,2-dimethylpropyl)thiophen-3-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-4-(2,2-dimethylpropyl)thiophen-3-yl]-(4-chlorophenyl)methanone
PubChem CID73057072
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name[2-amino-4-(2,2-dimethylpropyl)thiophen-3-yl]-(4-chlorophenyl)methanone
SMILESCC(C)(C)Cc1csc(N)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNOS/c1-16(2,3)8-11-9-20-15(18)13(11)14(19)10-4-6-12(17)7-5-10/h4-7,9H,8,18H2,1-3H3
InChIKeyIVOYQGMHPBIQFF-UHFFFAOYSA-N
XLogP4.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-amino-5-bromo-4-(2,2-dimethylpropyl)thiophen-3-yl]-(4-chlorophenyl)methanone
CID 73057373
[2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone
CID 25265700
[2-amino-4-(2,2-dimethylpropyl)-5-hept-1-ynylthiophen-3-yl]-(4-chlorophenyl)methanone
CID 118713075
[2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone
CID 25265551
tert-butyl 3-amino-4-[[3-(4-chlorobenzoyl)-4-ethylthiophen-2-yl]amino]-4-oxobutanoate
CID 176993014
[4-(2-amino-2-hydroxybutyl)phenyl]-(4-chlorophenyl)methanone
CID 22373683
[2-amino-4-[[4-[2-(2,3,4-trifluorophenyl)phenyl]piperazin-1-yl]methyl]thiophen-3-yl]-(4-chlorophenyl)methanone
CID 142701082
(2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone
CID 18974891
4-chloro(13C)benzoic acid
CID 66995527
(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 65099409
4-chlorobenzoic acid;fluoromethane
CID 174932068
(4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone
CID 70464224

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(2,2-dimethylpropyl)thiophen-3-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-amino-4-(2,2-dimethylpropyl)thiophen-3-yl]-(4-chlorophenyl)methanone (CID 73057072) is [2-amino-4-(2,2-dimethylpropyl)thiophen-3-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-amino-4-(2,2-dimethylpropyl)thiophen-3-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-amino-4-(2,2-dimethylpropyl)thiophen-3-yl]-(4-chlorophenyl)methanone is CC(C)(C)Cc1csc(N)c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-amino-4-(2,2-dimethylpropyl)thiophen-3-yl]-(4-chlorophenyl)methanone?
The InChIKey is IVOYQGMHPBIQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-16(2,3)8-11-9-20-15(18)13(11)14(19)10-4-6-12(17)7-5-10/h4-7,9H,8,18H2,1-3H3.
What are the key properties of [2-amino-4-(2,2-dimethylpropyl)thiophen-3-yl]-(4-chlorophenyl)methanone?
[2-amino-4-(2,2-dimethylpropyl)thiophen-3-yl]-(4-chlorophenyl)methanone has a molecular weight of 307.85 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(2,2-dimethylpropyl)thiophen-3-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 73057072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).