4-chloro-N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]benzamide

C18H21ClN2O2S — CID 51151878

IUPAC4-chloro-N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]benzamide
SMILESCC(NC(=O)C(NC(=O)c1ccc(Cl)cc1)C(C)C)c1cccs1
InChIInChI=1S/C18H21ClN2O2S/c1-11(2)16(18(23)20-12(3)15-5-4-10-24-15)21-17(22)13-6-8-14(19)9-7-13/h4-12,16H,1-3H3,(H,20,23)(H,21,22)
InChIKeyLVRJGAFGHADCAZ-UHFFFAOYSA-N
MW364.90 g/mol
LogP4.03
Rot. Bonds6

About 4-chloro-N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]benzamide

4-chloro-N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]benzamide (PubChem CID 51151878) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 4-chloro-N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]benzamide
PubChem CID51151878
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name4-chloro-N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]benzamide
SMILESCC(NC(=O)C(NC(=O)c1ccc(Cl)cc1)C(C)C)c1cccs1
InChIInChI=1S/C18H21ClN2O2S/c1-11(2)16(18(23)20-12(3)15-5-4-10-24-15)21-17(22)13-6-8-14(19)9-7-13/h4-12,16H,1-3H3,(H,20,23)(H,21,22)
InChIKeyLVRJGAFGHADCAZ-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide
CID 18126793
4-chloro-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]butan-2-yl]benzamide
CID 34981994
4-chloro-N-[(2S)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 39167663
4-chloro-N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 39167661
4-chloro-N-[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]benzamide
CID 7321021
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 47079681
N-[1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 2934696
N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 55962435
4-chloro-N-[1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55595814

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]benzamide (CID 51151878) is 4-chloro-N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]benzamide is CC(NC(=O)C(NC(=O)c1ccc(Cl)cc1)C(C)C)c1cccs1.
What is the InChIKey of 4-chloro-N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]benzamide?
The InChIKey is LVRJGAFGHADCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-11(2)16(18(23)20-12(3)15-5-4-10-24-15)21-17(22)13-6-8-14(19)9-7-13/h4-12,16H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]benzamide?
4-chloro-N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]benzamide has a molecular weight of 364.90 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 51151878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).