1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea

C20H20N2O5S2 — CID 90612845

IUPAC1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O5S2/c1-25-15-8-13(9-16(26-2)19(15)27-3)22-20(24)21-10-14-4-5-17(29-14)18(23)12-6-7-28-11-12/h4-9,11H,10H2,1-3H3,(H2,21,22,24)
InChIKeyKHWBSKBPEZSJKS-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.39
Rot. Bonds8

About 1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea

1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 90612845) has the molecular formula C20H20N2O5S2 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID90612845
Molecular FormulaC20H20N2O5S2
Molecular Weight432.52 g/mol
Exact Mass432.08
IUPAC Name1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O5S2/c1-25-15-8-13(9-16(26-2)19(15)27-3)22-20(24)21-10-14-4-5-17(29-14)18(23)12-6-7-28-11-12/h4-9,11H,10H2,1-3H3,(H2,21,22,24)
InChIKeyKHWBSKBPEZSJKS-UHFFFAOYSA-N
XLogP4.39
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea with MolForge

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Related Compounds

N'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612793
2,4-dimethoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612561
3,5-dimethoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612558
N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612790
4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612517
4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 72717604
ethyl 2-oxo-2-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylamino]acetate
CID 90612492
4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide
CID 90613215
4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 72717695
N'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612759
N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612754
(5-ethylthiophen-2-yl)-thiophen-3-ylmethanone
CID 13356126

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea (CID 90612845) is 1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc(OC)c1OC.
What is the InChIKey of 1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is KHWBSKBPEZSJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S2/c1-25-15-8-13(9-16(26-2)19(15)27-3)22-20(24)21-10-14-4-5-17(29-14)18(23)12-6-7-28-11-12/h4-9,11H,10H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea?
1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 432.52 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 90612845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).