2-chloro-N-[5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide

C20H24ClN3O4S2 — CID 55966945

IUPAC2-chloro-N-[5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCCCC1CNS(C)(=O)=O
InChIInChI=1S/C20H24ClN3O4S2/c1-13-11-17(23-19(25)15-8-3-4-9-16(15)21)29-18(13)20(26)24-10-6-5-7-14(24)12-22-30(2,27)28/h3-4,8-9,11,14,22H,5-7,10,12H2,1-2H3,(H,23,25)
InChIKeyCYHIUKZAABSBRC-UHFFFAOYSA-N
MW470.02 g/mol
LogP3.51
Rot. Bonds6

About 2-chloro-N-[5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide

2-chloro-N-[5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide (PubChem CID 55966945) has the molecular formula C20H24ClN3O4S2 and a molecular weight of 470.02 g/mol. Its IUPAC name is 2-chloro-N-[5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
PubChem CID55966945
Molecular FormulaC20H24ClN3O4S2
Molecular Weight470.02 g/mol
Exact Mass469.09
IUPAC Name2-chloro-N-[5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCCCC1CNS(C)(=O)=O
InChIInChI=1S/C20H24ClN3O4S2/c1-13-11-17(23-19(25)15-8-3-4-9-16(15)21)29-18(13)20(26)24-10-6-5-7-14(24)12-22-30(2,27)28/h3-4,8-9,11,14,22H,5-7,10,12H2,1-2H3,(H,23,25)
InChIKeyCYHIUKZAABSBRC-UHFFFAOYSA-N
XLogP3.51
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.02
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[5-(2-cyclobutylpyrrolidine-1-carbonyl)-4-methylthiophen-2-yl]benzamide
CID 86887232
2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 55830537
2-chloro-N-[5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 86960916
N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide
CID 55844141
N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722447
N-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 119650096
N-[[1-(6-methylpyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 43073456
methyl 1-[5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55870701
(3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 107098111
N-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 97073184
1-[4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]-3-phenylurea
CID 47029987
2-chloro-N,N-diethyl-5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073520

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide (CID 55966945) is 2-chloro-N-[5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide is Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCCCC1CNS(C)(=O)=O.
What is the InChIKey of 2-chloro-N-[5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide?
The InChIKey is CYHIUKZAABSBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S2/c1-13-11-17(23-19(25)15-8-3-4-9-16(15)21)29-18(13)20(26)24-10-6-5-7-14(24)12-22-30(2,27)28/h3-4,8-9,11,14,22H,5-7,10,12H2,1-2H3,(H,23,25).
What are the key properties of 2-chloro-N-[5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide?
2-chloro-N-[5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide has a molecular weight of 470.02 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide is sourced from PubChem (CID 55966945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).