1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea

C17H26N2O2S — CID 97350329

IUPAC1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea
SMILESCS[C@H]1CC[C@H](NC(=O)N(CCO)Cc2ccc(C)cc2)C1
InChIInChI=1S/C17H26N2O2S/c1-13-3-5-14(6-4-13)12-19(9-10-20)17(21)18-15-7-8-16(11-15)22-2/h3-6,15-16,20H,7-12H2,1-2H3,(H,18,21)/t15-,16-/m0/s1
InChIKeyLMTYNNVPXMOSRI-HOTGVXAUSA-N
MW322.47 g/mol
LogP2.78
Rot. Bonds6

About 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea

1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea (PubChem CID 97350329) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea
PubChem CID97350329
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea
SMILESCS[C@H]1CC[C@H](NC(=O)N(CCO)Cc2ccc(C)cc2)C1
InChIInChI=1S/C17H26N2O2S/c1-13-3-5-14(6-4-13)12-19(9-10-20)17(21)18-15-7-8-16(11-15)22-2/h3-6,15-16,20H,7-12H2,1-2H3,(H,18,21)/t15-,16-/m0/s1
InChIKeyLMTYNNVPXMOSRI-HOTGVXAUSA-N
XLogP2.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]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

2-[(3-methylsulfanylcyclopentyl)carbamoyl-propylamino]acetic acid
CID 114124070
2-methyl-1-[(4-methylphenyl)methyl]-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111529133
1-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R,3R)-3-methylsulfanylcyclopentyl]urea
CID 99850435
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea
CID 111435351
1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[1-(oxolan-3-yl)ethyl]urea
CID 84600682
4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103797799
3-(3-ethylsulfanylcyclopentyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111509144
3-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-[(4-hydroxyphenyl)methyl]-1-methylurea
CID 97029971
2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 114122249
N,N-diethyl-4-[[[N'-methyl-N-(3-methylsulfanylcyclopentyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111530004
1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea
CID 97075370

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea (CID 97350329) is 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea is CS[C@H]1CC[C@H](NC(=O)N(CCO)Cc2ccc(C)cc2)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea?
The InChIKey is LMTYNNVPXMOSRI-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13-3-5-14(6-4-13)12-19(9-10-20)17(21)18-15-7-8-16(11-15)22-2/h3-6,15-16,20H,7-12H2,1-2H3,(H,18,21)/t15-,16-/m0/s1.
What are the key properties of 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea?
1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea has a molecular weight of 322.47 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea is sourced from PubChem (CID 97350329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).