1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea

C14H14F2N2O3S — CID 95774476

IUPAC1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea
SMILESO=C(NC[C@@H](O)c1ccsc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H14F2N2O3S/c15-13(16)21-11-3-1-10(2-4-11)18-14(20)17-7-12(19)9-5-6-22-8-9/h1-6,8,12-13,19H,7H2,(H2,17,18,20)/t12-/m1/s1
InChIKeyVUELPLLENQGSPG-GFCCVEGCSA-N
MW328.34 g/mol
LogP3.20
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea

1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea (PubChem CID 95774476) has the molecular formula C14H14F2N2O3S and a molecular weight of 328.34 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea
PubChem CID95774476
Molecular FormulaC14H14F2N2O3S
Molecular Weight328.34 g/mol
Exact Mass328.07
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea
SMILESO=C(NC[C@@H](O)c1ccsc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H14F2N2O3S/c15-13(16)21-11-3-1-10(2-4-11)18-14(20)17-7-12(19)9-5-6-22-8-9/h1-6,8,12-13,19H,7H2,(H2,17,18,20)/t12-/m1/s1
InChIKeyVUELPLLENQGSPG-GFCCVEGCSA-N
XLogP3.20
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 90496696
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea
CID 51944880
1-(3-butoxyphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443170
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111442955
1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443096
3-[[4-(difluoromethoxy)phenyl]carbamoylamino]-2-methoxypropanoic acid
CID 106109697
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 90496691
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
CID 47196832

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea (CID 95774476) is 1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea is O=C(NC[C@@H](O)c1ccsc1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea?
The InChIKey is VUELPLLENQGSPG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14F2N2O3S/c15-13(16)21-11-3-1-10(2-4-11)18-14(20)17-7-12(19)9-5-6-22-8-9/h1-6,8,12-13,19H,7H2,(H2,17,18,20)/t12-/m1/s1.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea?
1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea has a molecular weight of 328.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea is sourced from PubChem (CID 95774476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).