N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]propanamide

C17H26N2O3S — CID 2948474

IUPACN-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-13-9-11-16(12-10-13)23(21,22)19-14(2)17(20)18-15-7-5-3-4-6-8-15/h9-12,14-15,19H,3-8H2,1-2H3,(H,18,20)
InChIKeyMPXCHMNKTCTBCQ-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.50
Rot. Bonds5

About N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]propanamide

N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 2948474) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID2948474
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-13-9-11-16(12-10-13)23(21,22)19-14(2)17(20)18-15-7-5-3-4-6-8-15/h9-12,14-15,19H,3-8H2,1-2H3,(H,18,20)
InChIKeyMPXCHMNKTCTBCQ-UHFFFAOYSA-N
XLogP2.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]propanamide (CID 2948474) is N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NC(C)C(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is MPXCHMNKTCTBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-9-11-16(12-10-13)23(21,22)19-14(2)17(20)18-15-7-5-3-4-6-8-15/h9-12,14-15,19H,3-8H2,1-2H3,(H,18,20).
What are the key properties of N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 338.47 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 2948474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).