(4-phenoxythiophen-2-yl)methylurea

C12H12N2O2S — CID 67835254

IUPAC(4-phenoxythiophen-2-yl)methylurea
SMILESNC(=O)NCc1cc(Oc2ccccc2)cs1
InChIInChI=1S/C12H12N2O2S/c13-12(15)14-7-11-6-10(8-17-11)16-9-4-2-1-3-5-9/h1-6,8H,7H2,(H3,13,14,15)
InChIKeyXDXRQYHIBHCCIO-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.71
Rot. Bonds4

About (4-phenoxythiophen-2-yl)methylurea

(4-phenoxythiophen-2-yl)methylurea (PubChem CID 67835254) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is (4-phenoxythiophen-2-yl)methylurea.

Molecular Properties

Compound Name(4-phenoxythiophen-2-yl)methylurea
PubChem CID67835254
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name(4-phenoxythiophen-2-yl)methylurea
SMILESNC(=O)NCc1cc(Oc2ccccc2)cs1
InChIInChI=1S/C12H12N2O2S/c13-12(15)14-7-11-6-10(8-17-11)16-9-4-2-1-3-5-9/h1-6,8H,7H2,(H3,13,14,15)
InChIKeyXDXRQYHIBHCCIO-UHFFFAOYSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenoxythiophen-2-yl)acetonitrile
CID 139730477
4-phenoxythiophen-2-ol
CID 57142617
benzene;benzylurea;hydrazine
CID 68793593
(2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide
CID 94192857
(2R)-N-[(4-carbamimidoylthiophen-2-yl)methyl]-1-[2-(N-formyl-4-phenoxyanilino)acetyl]pyrrolidine-2-carboxamide
CID 162515502
(4R)-N-[(4-carbamimidoylthiophen-2-yl)methyl]-3-[2-[(4-phenoxybenzoyl)amino]acetyl]-1,3-thiazolidine-4-carboxamide
CID 162515494
5-phenoxy-N-(thiophen-2-ylmethyl)benzotriazole-1-carboxamide
CID 58271106
5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide
CID 79605581
methyl 2-[(4-phenylthiophen-2-yl)methylamino]propanoate
CID 61018262
(2S)-N-[(4-carbamimidoylthiophen-2-yl)methyl]-2-methyl-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 162515463
N-[(4-carbamimidoylthiophen-2-yl)methyl]-4-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 167395676
(2S)-N-[(4-carbamimidoylthiophen-2-yl)methyl]-1-[4-oxo-4-(4-phenoxyphenyl)butyl]pyrrolidine-2-carboxamide
CID 155144843

Frequently Asked Questions

What is the IUPAC name of (4-phenoxythiophen-2-yl)methylurea?
The IUPAC name of (4-phenoxythiophen-2-yl)methylurea (CID 67835254) is (4-phenoxythiophen-2-yl)methylurea.
What is the SMILES notation for (4-phenoxythiophen-2-yl)methylurea?
The canonical SMILES for (4-phenoxythiophen-2-yl)methylurea is NC(=O)NCc1cc(Oc2ccccc2)cs1.
What is the InChIKey of (4-phenoxythiophen-2-yl)methylurea?
The InChIKey is XDXRQYHIBHCCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c13-12(15)14-7-11-6-10(8-17-11)16-9-4-2-1-3-5-9/h1-6,8H,7H2,(H3,13,14,15).
What are the key properties of (4-phenoxythiophen-2-yl)methylurea?
(4-phenoxythiophen-2-yl)methylurea has a molecular weight of 248.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxythiophen-2-yl)methylurea is sourced from PubChem (CID 67835254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).