1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea

C18H24N2O2S — CID 111439042

IUPAC1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea
SMILESCc1ccc(CC(C)NC(=O)N(CCO)Cc2ccccc2)s1
InChIInChI=1S/C18H24N2O2S/c1-14(12-17-9-8-15(2)23-17)19-18(22)20(10-11-21)13-16-6-4-3-5-7-16/h3-9,14,21H,10-13H2,1-2H3,(H,19,22)
InChIKeyVIWAFXJTIKFVRE-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.19
Rot. Bonds7

About 1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea

1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea (PubChem CID 111439042) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea
PubChem CID111439042
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea
SMILESCc1ccc(CC(C)NC(=O)N(CCO)Cc2ccccc2)s1
InChIInChI=1S/C18H24N2O2S/c1-14(12-17-9-8-15(2)23-17)19-18(22)20(10-11-21)13-16-6-4-3-5-7-16/h3-9,14,21H,10-13H2,1-2H3,(H,19,22)
InChIKeyVIWAFXJTIKFVRE-UHFFFAOYSA-N
XLogP3.19
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea
CID 111439082
1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
CID 108888312
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide
CID 78995785
1-benzyl-3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 110895092
methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171
2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride
CID 120592916
4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122028172
N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide
CID 54870765
2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 114344434
1,1-dibenzyl-3-propan-2-ylurea
CID 23988482
N-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 110921880
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea?
The IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea (CID 111439042) is 1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea.
What is the SMILES notation for 1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea?
The canonical SMILES for 1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea is Cc1ccc(CC(C)NC(=O)N(CCO)Cc2ccccc2)s1.
What is the InChIKey of 1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea?
The InChIKey is VIWAFXJTIKFVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-14(12-17-9-8-15(2)23-17)19-18(22)20(10-11-21)13-16-6-4-3-5-7-16/h3-9,14,21H,10-13H2,1-2H3,(H,19,22).
What are the key properties of 1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea?
1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea has a molecular weight of 332.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea is sourced from PubChem (CID 111439042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).