2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide

C18H28ClN3O3S — CID 134046952

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(N(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H28ClN3O3S/c1-14(2)22-11-9-16(10-12-22)21(4)18(23)13-20(3)26(24,25)17-7-5-15(19)6-8-17/h5-8,14,16H,9-13H2,1-4H3
InChIKeyCCUBPHRROQQNFN-UHFFFAOYSA-N
MW401.96 g/mol
LogP2.29
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 134046952) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID134046952
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(N(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H28ClN3O3S/c1-14(2)22-11-9-16(10-12-22)21(4)18(23)13-20(3)26(24,25)17-7-5-15(19)6-8-17/h5-8,14,16H,9-13H2,1-4H3
InChIKeyCCUBPHRROQQNFN-UHFFFAOYSA-N
XLogP2.29
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 134046952) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide is CC(C)N1CCC(N(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is CCUBPHRROQQNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O3S/c1-14(2)22-11-9-16(10-12-22)21(4)18(23)13-20(3)26(24,25)17-7-5-15(19)6-8-17/h5-8,14,16H,9-13H2,1-4H3.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 401.96 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 134046952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).