N-cyclohexyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

C17H26N2O4S — CID 18108602

IUPACN-cyclohexyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-2-23-15-8-10-16(11-9-15)24(21,22)18-13-12-17(20)19-14-6-4-3-5-7-14/h8-11,14,18H,2-7,12-13H2,1H3,(H,19,20)
InChIKeyBQJRNVFTBODGOT-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.20
Rot. Bonds8

About N-cyclohexyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

N-cyclohexyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (PubChem CID 18108602) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-cyclohexyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
PubChem CID18108602
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-cyclohexyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-2-23-15-8-10-16(11-9-15)24(21,22)18-13-12-17(20)19-14-6-4-3-5-7-14/h8-11,14,18H,2-7,12-13H2,1H3,(H,19,20)
InChIKeyBQJRNVFTBODGOT-UHFFFAOYSA-N
XLogP2.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-cyclohexyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (CID 18108602) is N-cyclohexyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is BQJRNVFTBODGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-2-23-15-8-10-16(11-9-15)24(21,22)18-13-12-17(20)19-14-6-4-3-5-7-14/h8-11,14,18H,2-7,12-13H2,1H3,(H,19,20).
What are the key properties of N-cyclohexyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
N-cyclohexyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 354.47 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 18108602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).