N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide

C16H26N2O3S — CID 45479971

IUPACN-cyclohexyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide
SMILESCOc1ccc(CNCCS(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-21-16-9-7-14(8-10-16)13-17-11-12-22(19,20)18-15-5-3-2-4-6-15/h7-10,15,17-18H,2-6,11-13H2,1H3
InChIKeyNNXOPFUWTASHED-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.04
Rot. Bonds8

About N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide

N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide (PubChem CID 45479971) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide
PubChem CID45479971
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-cyclohexyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide
SMILESCOc1ccc(CNCCS(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-21-16-9-7-14(8-10-16)13-17-11-12-22(19,20)18-15-5-3-2-4-6-15/h7-10,15,17-18H,2-6,11-13H2,1H3
InChIKeyNNXOPFUWTASHED-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N-(4-methoxybenzyl)piperidin-4-amine
CID 784035
N-(4-methoxybenzyl)cyclohexanamine
CID 274796
N-benzyl-4-methoxybenzenecarbothioamide
CID 1520123
N~1~,N~4~-Bis[(4-methoxyphenyl)methyl]butane-1,4-diamine
CID 44458572
4-Methoxy-alpha-methyl-N-(phenylmethyl)benzeneethanamine
CID 3016422
Bis(4-methoxybenzyl)amine
CID 714952
Benzyl[(4-methoxyphenyl)methyl]amine
CID 738564
4-[2-[(4-Methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 4718971
2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 890682
N-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
CID 3672307
N-(4-methoxybenzyl)-3-phenyl-2-propen-1-amine hydrochloride
CID 6464138
1-Cyclohexyl-3-(4-methoxybenzyl)thiourea
CID 19649515

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide?
The IUPAC name of N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide (CID 45479971) is N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide?
The canonical SMILES for N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide is COc1ccc(CNCCS(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide?
The InChIKey is NNXOPFUWTASHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-21-16-9-7-14(8-10-16)13-17-11-12-22(19,20)18-15-5-3-2-4-6-15/h7-10,15,17-18H,2-6,11-13H2,1H3.
What are the key properties of N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide?
N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]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 N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide is sourced from PubChem (CID 45479971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).