N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

C24H38ClN3O3S — CID 20629298

IUPACN-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)CC(NC(=O)N1CCC(NS(=O)(=O)C(C)C)CC1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C24H38ClN3O3S/c1-17(2)16-22(24(12-5-13-24)19-6-8-20(25)9-7-19)26-23(29)28-14-10-21(11-15-28)27-32(30,31)18(3)4/h6-9,17-18,21-22,27H,5,10-16H2,1-4H3,(H,26,29)
InChIKeyDVZXSUWAJXRPBB-UHFFFAOYSA-N
MW484.11 g/mol
LogP4.68
Rot. Bonds8

About N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 20629298) has the molecular formula C24H38ClN3O3S and a molecular weight of 484.11 g/mol. Its IUPAC name is N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
PubChem CID20629298
Molecular FormulaC24H38ClN3O3S
Molecular Weight484.11 g/mol
Exact Mass483.23
IUPAC NameN-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)CC(NC(=O)N1CCC(NS(=O)(=O)C(C)C)CC1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C24H38ClN3O3S/c1-17(2)16-22(24(12-5-13-24)19-6-8-20(25)9-7-19)26-23(29)28-14-10-21(11-15-28)27-32(30,31)18(3)4/h6-9,17-18,21-22,27H,5,10-16H2,1-4H3,(H,26,29)
InChIKeyDVZXSUWAJXRPBB-UHFFFAOYSA-N
XLogP4.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.11
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (CID 20629298) is N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is CC(C)CC(NC(=O)N1CCC(NS(=O)(=O)C(C)C)CC1)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is DVZXSUWAJXRPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38ClN3O3S/c1-17(2)16-22(24(12-5-13-24)19-6-8-20(25)9-7-19)26-23(29)28-14-10-21(11-15-28)27-32(30,31)18(3)4/h6-9,17-18,21-22,27H,5,10-16H2,1-4H3,(H,26,29).
What are the key properties of N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 484.11 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 20629298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).