N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide

C20H28Cl2N2O3S — CID 55625184

IUPACN-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCC(C)C(C)N(C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)C1CC1
InChIInChI=1S/C20H28Cl2N2O3S/c1-13(2)14(3)24(17-5-6-17)20(25)15-8-10-23(11-9-15)28(26,27)19-12-16(21)4-7-18(19)22/h4,7,12-15,17H,5-6,8-11H2,1-3H3
InChIKeyXHKKMPCBEVKRQZ-UHFFFAOYSA-N
MW447.43 g/mol
LogP4.43
Rot. Bonds6

About N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide

N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 55625184) has the molecular formula C20H28Cl2N2O3S and a molecular weight of 447.43 g/mol. Its IUPAC name is N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
PubChem CID55625184
Molecular FormulaC20H28Cl2N2O3S
Molecular Weight447.43 g/mol
Exact Mass446.12
IUPAC NameN-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCC(C)C(C)N(C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)C1CC1
InChIInChI=1S/C20H28Cl2N2O3S/c1-13(2)14(3)24(17-5-6-17)20(25)15-8-10-23(11-9-15)28(26,27)19-12-16(21)4-7-18(19)22/h4,7,12-15,17H,5-6,8-11H2,1-3H3
InChIKeyXHKKMPCBEVKRQZ-UHFFFAOYSA-N
XLogP4.43
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
CID 24542610
1-(2,5-dichlorophenyl)sulfonyl-N-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 43022044
ethyl 2-[[1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 55985189
1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834631
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-cyclopropyl-N-propan-2-ylpiperidine-4-carboxamide
CID 112816964
1-(2,5-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 56510132
1-(2,5-dichlorophenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 3157096
1-(2,5-dichlorophenyl)sulfonyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 78803662
[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 7953770
N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 55624988
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 31287206
1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 24506364

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide (CID 55625184) is N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide is CC(C)C(C)N(C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is XHKKMPCBEVKRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl2N2O3S/c1-13(2)14(3)24(17-5-6-17)20(25)15-8-10-23(11-9-15)28(26,27)19-12-16(21)4-7-18(19)22/h4,7,12-15,17H,5-6,8-11H2,1-3H3.
What are the key properties of N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 447.43 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55625184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).