N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide

C19H23ClN2O2S — CID 131916019

IUPACN-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NC(=O)CCCc2cccs2)cc1Cl
InChIInChI=1S/C19H23ClN2O2S/c1-19(2,3)18(24)22-16-10-9-13(12-15(16)20)21-17(23)8-4-6-14-7-5-11-25-14/h5,7,9-12H,4,6,8H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyNXGQVQJPQKUSBX-UHFFFAOYSA-N
MW378.93 g/mol
LogP5.35
Rot. Bonds6

About N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide

N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide (PubChem CID 131916019) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide
PubChem CID131916019
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC NameN-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NC(=O)CCCc2cccs2)cc1Cl
InChIInChI=1S/C19H23ClN2O2S/c1-19(2,3)18(24)22-16-10-9-13(12-15(16)20)21-17(23)8-4-6-14-7-5-11-25-14/h5,7,9-12H,4,6,8H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyNXGQVQJPQKUSBX-UHFFFAOYSA-N
XLogP5.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.93
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 82862241
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
CID 82034683
N-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide
CID 17296780
N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide
CID 167851976
N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide
CID 16552293
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide
CID 47044022
N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide
CID 124607455
N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide
CID 124607454
N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119629762

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide (CID 131916019) is N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(NC(=O)CCCc2cccs2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide?
The InChIKey is NXGQVQJPQKUSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-19(2,3)18(24)22-16-10-9-13(12-15(16)20)21-17(23)8-4-6-14-7-5-11-25-14/h5,7,9-12H,4,6,8H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide?
N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide has a molecular weight of 378.93 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 131916019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).