2-(cyclohexylamino)-N-[(2-methoxyphenyl)methyl]ethanesulfonamide

C16H26N2O3S — CID 45479975

IUPAC2-(cyclohexylamino)-N-[(2-methoxyphenyl)methyl]ethanesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)CCNC1CCCCC1
InChIInChI=1S/C16H26N2O3S/c1-21-16-10-6-5-7-14(16)13-18-22(19,20)12-11-17-15-8-3-2-4-9-15/h5-7,10,15,17-18H,2-4,8-9,11-13H2,1H3
InChIKeyXZFKBVJLTHLVOO-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.04
Rot. Bonds8

About 2-(cyclohexylamino)-N-[(2-methoxyphenyl)methyl]ethanesulfonamide

2-(cyclohexylamino)-N-[(2-methoxyphenyl)methyl]ethanesulfonamide (PubChem CID 45479975) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-[(2-methoxyphenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-[(2-methoxyphenyl)methyl]ethanesulfonamide
PubChem CID45479975
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-(cyclohexylamino)-N-[(2-methoxyphenyl)methyl]ethanesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)CCNC1CCCCC1
InChIInChI=1S/C16H26N2O3S/c1-21-16-10-6-5-7-14(16)13-18-22(19,20)12-11-17-15-8-3-2-4-9-15/h5-7,10,15,17-18H,2-4,8-9,11-13H2,1H3
InChIKeyXZFKBVJLTHLVOO-UHFFFAOYSA-N
XLogP2.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-[(2-methoxyphenyl)methyl]ethanesulfonamide?
The IUPAC name of 2-(cyclohexylamino)-N-[(2-methoxyphenyl)methyl]ethanesulfonamide (CID 45479975) is 2-(cyclohexylamino)-N-[(2-methoxyphenyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-[(2-methoxyphenyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(cyclohexylamino)-N-[(2-methoxyphenyl)methyl]ethanesulfonamide is COc1ccccc1CNS(=O)(=O)CCNC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-N-[(2-methoxyphenyl)methyl]ethanesulfonamide?
The InChIKey is XZFKBVJLTHLVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-21-16-10-6-5-7-14(16)13-18-22(19,20)12-11-17-15-8-3-2-4-9-15/h5-7,10,15,17-18H,2-4,8-9,11-13H2,1H3.
What are the key properties of 2-(cyclohexylamino)-N-[(2-methoxyphenyl)methyl]ethanesulfonamide?
2-(cyclohexylamino)-N-[(2-methoxyphenyl)methyl]ethanesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-[(2-methoxyphenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 45479975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).