N-[[1-(benzenesulfonyl)cyclohexyl]carbamoyl]acetamide

C15H20N2O4S — CID 174421473

IUPACN-[[1-(benzenesulfonyl)cyclohexyl]carbamoyl]acetamide
SMILESCC(=O)NC(=O)NC1(S(=O)(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C15H20N2O4S/c1-12(18)16-14(19)17-15(10-6-3-7-11-15)22(20,21)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H2,16,17,18,19)
InChIKeyKHQRPUXZQSKORW-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.97
Rot. Bonds3

About N-[[1-(benzenesulfonyl)cyclohexyl]carbamoyl]acetamide

N-[[1-(benzenesulfonyl)cyclohexyl]carbamoyl]acetamide (PubChem CID 174421473) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)cyclohexyl]carbamoyl]acetamide.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)cyclohexyl]carbamoyl]acetamide
PubChem CID174421473
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-[[1-(benzenesulfonyl)cyclohexyl]carbamoyl]acetamide
SMILESCC(=O)NC(=O)NC1(S(=O)(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C15H20N2O4S/c1-12(18)16-14(19)17-15(10-6-3-7-11-15)22(20,21)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H2,16,17,18,19)
InChIKeyKHQRPUXZQSKORW-UHFFFAOYSA-N
XLogP1.97
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)cyclohexyl]carbamoyl]acetamide?
The IUPAC name of N-[[1-(benzenesulfonyl)cyclohexyl]carbamoyl]acetamide (CID 174421473) is N-[[1-(benzenesulfonyl)cyclohexyl]carbamoyl]acetamide.
What is the SMILES notation for N-[[1-(benzenesulfonyl)cyclohexyl]carbamoyl]acetamide?
The canonical SMILES for N-[[1-(benzenesulfonyl)cyclohexyl]carbamoyl]acetamide is CC(=O)NC(=O)NC1(S(=O)(=O)c2ccccc2)CCCCC1.
What is the InChIKey of N-[[1-(benzenesulfonyl)cyclohexyl]carbamoyl]acetamide?
The InChIKey is KHQRPUXZQSKORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-12(18)16-14(19)17-15(10-6-3-7-11-15)22(20,21)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H2,16,17,18,19).
What are the key properties of N-[[1-(benzenesulfonyl)cyclohexyl]carbamoyl]acetamide?
N-[[1-(benzenesulfonyl)cyclohexyl]carbamoyl]acetamide has a molecular weight of 324.40 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)cyclohexyl]carbamoyl]acetamide is sourced from PubChem (CID 174421473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).