2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide

C21H24ClN3O3S — CID 43816872

IUPAC2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
SMILESCC(=O)NC(Cc1ccccc1Cl)C(=O)NC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C21H24ClN3O3S/c1-14(26)23-18(13-15-5-2-3-6-17(15)22)20(27)24-16-8-10-25(11-9-16)21(28)19-7-4-12-29-19/h2-7,12,16,18H,8-11,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyKHFPPPOCFFQLBF-UHFFFAOYSA-N
MW433.96 g/mol
LogP2.87
Rot. Bonds6

About 2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide

2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 43816872) has the molecular formula C21H24ClN3O3S and a molecular weight of 433.96 g/mol. Its IUPAC name is 2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID43816872
Molecular FormulaC21H24ClN3O3S
Molecular Weight433.96 g/mol
Exact Mass433.12
IUPAC Name2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
SMILESCC(=O)NC(Cc1ccccc1Cl)C(=O)NC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C21H24ClN3O3S/c1-14(26)23-18(13-15-5-2-3-6-17(15)22)20(27)24-16-8-10-25(11-9-16)21(28)19-7-4-12-29-19/h2-7,12,16,18H,8-11,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyKHFPPPOCFFQLBF-UHFFFAOYSA-N
XLogP2.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 3227068
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
(2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide
CID 7407132
3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 108566261
2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 110820141
2-(2-ethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108557096
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
2-(4-methoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108549910
2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 646596
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;oxalic acid
CID 2926890
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
2-(4-ethoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108553957

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide (CID 43816872) is 2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide is CC(=O)NC(Cc1ccccc1Cl)C(=O)NC1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is KHFPPPOCFFQLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3S/c1-14(26)23-18(13-15-5-2-3-6-17(15)22)20(27)24-16-8-10-25(11-9-16)21(28)19-7-4-12-29-19/h2-7,12,16,18H,8-11,13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide?
2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 433.96 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 43816872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).