1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea

C18H29N3O4S — CID 113070684

IUPAC1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea
SMILESCOc1ccc(C)cc1N(CCNC(=O)NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O4S/c1-14-9-10-17(25-2)16(13-14)21(26(3,23)24)12-11-19-18(22)20-15-7-5-4-6-8-15/h9-10,13,15H,4-8,11-12H2,1-3H3,(H2,19,20,22)
InChIKeyLUOHRRQUWKGFQL-UHFFFAOYSA-N
MW383.51 g/mol
LogP2.40
Rot. Bonds7

About 1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea

1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea (PubChem CID 113070684) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea
PubChem CID113070684
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea
SMILESCOc1ccc(C)cc1N(CCNC(=O)NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O4S/c1-14-9-10-17(25-2)16(13-14)21(26(3,23)24)12-11-19-18(22)20-15-7-5-4-6-8-15/h9-10,13,15H,4-8,11-12H2,1-3H3,(H2,19,20,22)
InChIKeyLUOHRRQUWKGFQL-UHFFFAOYSA-N
XLogP2.40
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea 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-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113068655
1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea
CID 113070457
N-cycloheptyl-3-(2,5-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145111
N-cyclohexyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172207
methyl 3-[2-(cyclohexylcarbamoylamino)ethyl-methylsulfonylamino]benzoate
CID 113071198
(2S)-2-[benzyl-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100573221
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide
CID 1203936
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 2177494
(2S)-N-cyclohexyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 100596713
N-cyclopentyl-2-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132623883
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113068580
2-[(3-chlorophenyl)methyl-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 133261710

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea (CID 113070684) is 1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea is COc1ccc(C)cc1N(CCNC(=O)NC1CCCCC1)S(C)(=O)=O.
What is the InChIKey of 1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea?
The InChIKey is LUOHRRQUWKGFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-14-9-10-17(25-2)16(13-14)21(26(3,23)24)12-11-19-18(22)20-15-7-5-4-6-8-15/h9-10,13,15H,4-8,11-12H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea?
1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea has a molecular weight of 383.51 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea is sourced from PubChem (CID 113070684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).