[5-(4-chloroanilino)-3-(dimethylamino)thiophen-2-yl]-phenylmethanone

C19H17ClN2OS — CID 44517501

IUPAC[5-(4-chloroanilino)-3-(dimethylamino)thiophen-2-yl]-phenylmethanone
SMILESCN(C)c1cc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccccc1
InChIInChI=1S/C19H17ClN2OS/c1-22(2)16-12-17(21-15-10-8-14(20)9-11-15)24-19(16)18(23)13-6-4-3-5-7-13/h3-12,21H,1-2H3
InChIKeyDTFFBJBMHFAZHG-UHFFFAOYSA-N
MW356.88 g/mol
LogP5.44
Rot. Bonds5

About [5-(4-chloroanilino)-3-(dimethylamino)thiophen-2-yl]-phenylmethanone

[5-(4-chloroanilino)-3-(dimethylamino)thiophen-2-yl]-phenylmethanone (PubChem CID 44517501) has the molecular formula C19H17ClN2OS and a molecular weight of 356.88 g/mol. Its IUPAC name is [5-(4-chloroanilino)-3-(dimethylamino)thiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(4-chloroanilino)-3-(dimethylamino)thiophen-2-yl]-phenylmethanone
PubChem CID44517501
Molecular FormulaC19H17ClN2OS
Molecular Weight356.88 g/mol
Exact Mass356.08
IUPAC Name[5-(4-chloroanilino)-3-(dimethylamino)thiophen-2-yl]-phenylmethanone
SMILESCN(C)c1cc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccccc1
InChIInChI=1S/C19H17ClN2OS/c1-22(2)16-12-17(21-15-10-8-14(20)9-11-15)24-19(16)18(23)13-6-4-3-5-7-13/h3-12,21H,1-2H3
InChIKeyDTFFBJBMHFAZHG-UHFFFAOYSA-N
XLogP5.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.88
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone
CID 11738595
[5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone
CID 132849028
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
[3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone
CID 46350732
4-amino-2-anilino-5-benzoyl-N-[4-(dimethylamino)phenyl]thiophene-3-carboxamide
CID 170995344
[4-(2-aminoanilino)-3-(dimethylamino)phenyl]-phenylmethanone
CID 174393841
[5-(4-chloroanilino)-1,3-selenazol-4-yl]-phenylmethanone
CID 177471312
N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide
CID 154157817
N-(2-benzoyl-4-chlorophenyl)-N-chloroacetamide
CID 139392236
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612

Frequently Asked Questions

What is the IUPAC name of [5-(4-chloroanilino)-3-(dimethylamino)thiophen-2-yl]-phenylmethanone?
The IUPAC name of [5-(4-chloroanilino)-3-(dimethylamino)thiophen-2-yl]-phenylmethanone (CID 44517501) is [5-(4-chloroanilino)-3-(dimethylamino)thiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(4-chloroanilino)-3-(dimethylamino)thiophen-2-yl]-phenylmethanone?
The canonical SMILES for [5-(4-chloroanilino)-3-(dimethylamino)thiophen-2-yl]-phenylmethanone is CN(C)c1cc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccccc1.
What is the InChIKey of [5-(4-chloroanilino)-3-(dimethylamino)thiophen-2-yl]-phenylmethanone?
The InChIKey is DTFFBJBMHFAZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2OS/c1-22(2)16-12-17(21-15-10-8-14(20)9-11-15)24-19(16)18(23)13-6-4-3-5-7-13/h3-12,21H,1-2H3.
What are the key properties of [5-(4-chloroanilino)-3-(dimethylamino)thiophen-2-yl]-phenylmethanone?
[5-(4-chloroanilino)-3-(dimethylamino)thiophen-2-yl]-phenylmethanone has a molecular weight of 356.88 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloroanilino)-3-(dimethylamino)thiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 44517501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).