N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide

C21H24ClN3O3S — CID 55844141

IUPACN-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide
SMILESCC(=O)NCC1CCN(C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)CC1
InChIInChI=1S/C21H24ClN3O3S/c1-13-11-18(24-20(27)16-5-3-4-6-17(16)22)29-19(13)21(28)25-9-7-15(8-10-25)12-23-14(2)26/h3-6,11,15H,7-10,12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyCMYLKNQDTHNKBD-UHFFFAOYSA-N
MW433.96 g/mol
LogP3.95
Rot. Bonds5

About N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide

N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide (PubChem CID 55844141) has the molecular formula C21H24ClN3O3S and a molecular weight of 433.96 g/mol. Its IUPAC name is N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide
PubChem CID55844141
Molecular FormulaC21H24ClN3O3S
Molecular Weight433.96 g/mol
Exact Mass433.12
IUPAC NameN-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide
SMILESCC(=O)NCC1CCN(C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)CC1
InChIInChI=1S/C21H24ClN3O3S/c1-13-11-18(24-20(27)16-5-3-4-6-17(16)22)29-19(13)21(28)25-9-7-15(8-10-25)12-23-14(2)26/h3-6,11,15H,7-10,12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyCMYLKNQDTHNKBD-UHFFFAOYSA-N
XLogP3.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 55830537
2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 55734096
N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide
CID 119374606
2-chloro-N-[5-(2-cyclobutylpyrrolidine-1-carbonyl)-4-methylthiophen-2-yl]benzamide
CID 86887232
2-chloro-N-[5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 55966945
2-chloro-N-[4-methyl-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 55820854
5-[(2-chlorobenzoyl)amino]-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 55734581
N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
CID 47042290
3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride
CID 119545620
methyl 1-[5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55870701
2-chloro-N-[5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 86960916
2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935229

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide?
The IUPAC name of N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide (CID 55844141) is N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide?
The canonical SMILES for N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide is CC(=O)NCC1CCN(C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)CC1.
What is the InChIKey of N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide?
The InChIKey is CMYLKNQDTHNKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3S/c1-13-11-18(24-20(27)16-5-3-4-6-17(16)22)29-19(13)21(28)25-9-7-15(8-10-25)12-23-14(2)26/h3-6,11,15H,7-10,12H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide?
N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide has a molecular weight of 433.96 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide is sourced from PubChem (CID 55844141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).