N-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide

C17H19N3O2S — CID 47033602

IUPACN-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide
SMILESCN(Cc1ccsc1)C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H19N3O2S/c1-20(10-12-7-8-23-11-12)17(22)19-15-4-2-3-14(9-15)18-16(21)13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,18,21)(H,19,22)
InChIKeyHYLFZAJEDJUOSI-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.76
Rot. Bonds5

About N-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide

N-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 47033602) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID47033602
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide
SMILESCN(Cc1ccsc1)C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H19N3O2S/c1-20(10-12-7-8-23-11-12)17(22)19-15-4-2-3-14(9-15)18-16(21)13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,18,21)(H,19,22)
InChIKeyHYLFZAJEDJUOSI-UHFFFAOYSA-N
XLogP3.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea
CID 61340217
1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea
CID 17467272
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 61341427
N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 18140749
1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide
CID 171722281
N-[3-[[[N'-methyl-N-(thiophen-3-ylmethyl)carbamimidoyl]amino]methyl]phenyl]cyclohexanecarboxamide;hydroiodide
CID 111939570
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
3-bromo-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid
CID 63113712
3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 36784446
2-[2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]acetamide
CID 51080423
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554

Frequently Asked Questions

What is the IUPAC name of N-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide (CID 47033602) is N-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide is CN(Cc1ccsc1)C(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is HYLFZAJEDJUOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-20(10-12-7-8-23-11-12)17(22)19-15-4-2-3-14(9-15)18-16(21)13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide?
N-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 47033602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).