1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea

C14H18N2O2S2 — CID 121170348

IUPAC1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
SMILESCCCNC(=O)NCC(O)(c1ccsc1)c1cccs1
InChIInChI=1S/C14H18N2O2S2/c1-2-6-15-13(17)16-10-14(18,11-5-8-19-9-11)12-4-3-7-20-12/h3-5,7-9,18H,2,6,10H2,1H3,(H2,15,16,17)
InChIKeyCYJMDNPRDFTTQP-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.75
Rot. Bonds6

About 1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea

1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea (PubChem CID 121170348) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
PubChem CID121170348
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
SMILESCCCNC(=O)NCC(O)(c1ccsc1)c1cccs1
InChIInChI=1S/C14H18N2O2S2/c1-2-6-15-13(17)16-10-14(18,11-5-8-19-9-11)12-4-3-7-20-12/h3-5,7-9,18H,2,6,10H2,1H3,(H2,15,16,17)
InChIKeyCYJMDNPRDFTTQP-UHFFFAOYSA-N
XLogP2.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170273
1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea
CID 124878238
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
(2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide
CID 124875908
4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide
CID 121170103
N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170286
N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170293
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide
CID 121170078
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
CID 124760414
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 124878214
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 124875855
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 124760233

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea (CID 121170348) is 1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea is CCCNC(=O)NCC(O)(c1ccsc1)c1cccs1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea?
The InChIKey is CYJMDNPRDFTTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-2-6-15-13(17)16-10-14(18,11-5-8-19-9-11)12-4-3-7-20-12/h3-5,7-9,18H,2,6,10H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea?
1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea has a molecular weight of 310.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea is sourced from PubChem (CID 121170348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).