1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide

C18H24ClN3O5S — CID 108792177

IUPAC1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1
InChIInChI=1S/C18H24ClN3O5S/c1-13(23)21-6-4-14(5-7-21)18(24)20-17-12-15(2-3-16(17)19)28(25,26)22-8-10-27-11-9-22/h2-3,12,14H,4-11H2,1H3,(H,20,24)
InChIKeyKNDIGHRGCYUVCY-UHFFFAOYSA-N
MW429.93 g/mol
LogP1.56
Rot. Bonds4

About 1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide

1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 108792177) has the molecular formula C18H24ClN3O5S and a molecular weight of 429.93 g/mol. Its IUPAC name is 1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID108792177
Molecular FormulaC18H24ClN3O5S
Molecular Weight429.93 g/mol
Exact Mass429.11
IUPAC Name1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1
InChIInChI=1S/C18H24ClN3O5S/c1-13(23)21-6-4-14(5-7-21)18(24)20-17-12-15(2-3-16(17)19)28(25,26)22-8-10-27-11-9-22/h2-3,12,14H,4-11H2,1H3,(H,20,24)
InChIKeyKNDIGHRGCYUVCY-UHFFFAOYSA-N
XLogP1.56
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 9460845
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide
CID 17475932
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea
CID 8625090
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-4-methylpiperidine-1-carbothioamide
CID 8617841
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3938418
1-(4-acetylphenyl)sulfonyl-N-(2,5-dichlorophenyl)piperidine-4-carboxamide
CID 26577801
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911015
1-acetyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 108736634
N-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide
CID 108520247
(2R)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-methylpiperidine-1-carbothioamide
CID 8625398
N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514243

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide (CID 108792177) is 1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1.
What is the InChIKey of 1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is KNDIGHRGCYUVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O5S/c1-13(23)21-6-4-14(5-7-21)18(24)20-17-12-15(2-3-16(17)19)28(25,26)22-8-10-27-11-9-22/h2-3,12,14H,4-11H2,1H3,(H,20,24).
What are the key properties of 1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 429.93 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 108792177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).