1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea

C17H17N3O3S — CID 42951446

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C17H17N3O3S/c1-11(14-10-12-6-3-4-7-13(12)23-14)20(2)17(22)19-18-16(21)15-8-5-9-24-15/h3-11H,1-2H3,(H,18,21)(H,19,22)
InChIKeyDXVGXZRFDBVLON-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.54
Rot. Bonds3

About 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea

1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea (PubChem CID 42951446) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea
PubChem CID42951446
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C17H17N3O3S/c1-11(14-10-12-6-3-4-7-13(12)23-14)20(2)17(22)19-18-16(21)15-8-5-9-24-15/h3-11H,1-2H3,(H,18,21)(H,19,22)
InChIKeyDXVGXZRFDBVLON-UHFFFAOYSA-N
XLogP3.54
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea
CID 42951445
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(1-methylindole-3-carbonyl)amino]urea
CID 25345057
N-[(2S)-1-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 31440003
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 39976179
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea
CID 134040575
N-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide
CID 3319055
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 134040576
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide
CID 61164290
1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea
CID 47493616

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea (CID 42951446) is 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea is CC(c1cc2ccccc2o1)N(C)C(=O)NNC(=O)c1cccs1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea?
The InChIKey is DXVGXZRFDBVLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11(14-10-12-6-3-4-7-13(12)23-14)20(2)17(22)19-18-16(21)15-8-5-9-24-15/h3-11H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea?
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea has a molecular weight of 343.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea is sourced from PubChem (CID 42951446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).