1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea

C16H20N2O2S — CID 100723881

IUPAC1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NCCc1ccc([C@H](C)O)s1
InChIInChI=1S/C16H20N2O2S/c1-11-5-3-4-6-14(11)18-16(20)17-10-9-13-7-8-15(21-13)12(2)19/h3-8,12,19H,9-10H2,1-2H3,(H2,17,18,20)/t12-/m0/s1
InChIKeyKIFSZNNWPACVRN-LBPRGKRZSA-N
MW304.42 g/mol
LogP3.47
Rot. Bonds5

About 1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea

1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea (PubChem CID 100723881) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea
PubChem CID100723881
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NCCc1ccc([C@H](C)O)s1
InChIInChI=1S/C16H20N2O2S/c1-11-5-3-4-6-14(11)18-16(20)17-10-9-13-7-8-15(21-13)12(2)19/h3-8,12,19H,9-10H2,1-2H3,(H2,17,18,20)/t12-/m0/s1
InChIKeyKIFSZNNWPACVRN-LBPRGKRZSA-N
XLogP3.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]furan-3-carboxamide
CID 91817579
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
CID 97106401
2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide
CID 100722892
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea
CID 111430906
(E)-2-methyl-5-[(2-methylphenyl)carbamoylamino]pent-2-enoic acid
CID 67620358
(3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide
CID 100723065
2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]benzoic acid
CID 106039956
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(2-methylphenyl)oxamide
CID 121133602
1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52590743
1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
CID 71804286
1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea
CID 56823586
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(2-methylphenyl)urea
CID 91631086

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea (CID 100723881) is 1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NCCc1ccc([C@H](C)O)s1.
What is the InChIKey of 1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea?
The InChIKey is KIFSZNNWPACVRN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-5-3-4-6-14(11)18-16(20)17-10-9-13-7-8-15(21-13)12(2)19/h3-8,12,19H,9-10H2,1-2H3,(H2,17,18,20)/t12-/m0/s1.
What are the key properties of 1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea?
1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea has a molecular weight of 304.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 100723881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).