4-(5-tert-butylthiophen-2-yl)-2-chloro-N,N-diethylbenzamide

C19H24ClNOS — CID 59138595

IUPAC4-(5-tert-butylthiophen-2-yl)-2-chloro-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-c2ccc(C(C)(C)C)s2)cc1Cl
InChIInChI=1S/C19H24ClNOS/c1-6-21(7-2)18(22)14-9-8-13(12-15(14)20)16-10-11-17(23-16)19(3,4)5/h8-12H,6-7H2,1-5H3
InChIKeyJVSQVROOLHLNGQ-UHFFFAOYSA-N
MW349.93 g/mol
LogP5.85
Rot. Bonds4

About 4-(5-tert-butylthiophen-2-yl)-2-chloro-N,N-diethylbenzamide

4-(5-tert-butylthiophen-2-yl)-2-chloro-N,N-diethylbenzamide (PubChem CID 59138595) has the molecular formula C19H24ClNOS and a molecular weight of 349.93 g/mol. Its IUPAC name is 4-(5-tert-butylthiophen-2-yl)-2-chloro-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(5-tert-butylthiophen-2-yl)-2-chloro-N,N-diethylbenzamide
PubChem CID59138595
Molecular FormulaC19H24ClNOS
Molecular Weight349.93 g/mol
Exact Mass349.13
IUPAC Name4-(5-tert-butylthiophen-2-yl)-2-chloro-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-c2ccc(C(C)(C)C)s2)cc1Cl
InChIInChI=1S/C19H24ClNOS/c1-6-21(7-2)18(22)14-9-8-13(12-15(14)20)16-10-11-17(23-16)19(3,4)5/h8-12H,6-7H2,1-5H3
InChIKeyJVSQVROOLHLNGQ-UHFFFAOYSA-N
XLogP5.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.93
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide
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CID 106860509
4-[[2-[4-[[5-(3-bromophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoacetyl]amino]-2-chloro-N,N-diethylbenzamide
CID 166346529
5-chloro-N,N-diethylnaphthalene-1-carboxamide
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N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 79668411
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
CID 119712534
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
4-amino-N-benzyl-2-chloro-N-ethylbenzamide
CID 28748815
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395077
5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 72914641
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butylthiophen-2-yl)-2-chloro-N,N-diethylbenzamide?
The IUPAC name of 4-(5-tert-butylthiophen-2-yl)-2-chloro-N,N-diethylbenzamide (CID 59138595) is 4-(5-tert-butylthiophen-2-yl)-2-chloro-N,N-diethylbenzamide.
What is the SMILES notation for 4-(5-tert-butylthiophen-2-yl)-2-chloro-N,N-diethylbenzamide?
The canonical SMILES for 4-(5-tert-butylthiophen-2-yl)-2-chloro-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(-c2ccc(C(C)(C)C)s2)cc1Cl.
What is the InChIKey of 4-(5-tert-butylthiophen-2-yl)-2-chloro-N,N-diethylbenzamide?
The InChIKey is JVSQVROOLHLNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNOS/c1-6-21(7-2)18(22)14-9-8-13(12-15(14)20)16-10-11-17(23-16)19(3,4)5/h8-12H,6-7H2,1-5H3.
What are the key properties of 4-(5-tert-butylthiophen-2-yl)-2-chloro-N,N-diethylbenzamide?
4-(5-tert-butylthiophen-2-yl)-2-chloro-N,N-diethylbenzamide has a molecular weight of 349.93 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butylthiophen-2-yl)-2-chloro-N,N-diethylbenzamide is sourced from PubChem (CID 59138595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).