5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide

C19H23N3O3S — CID 72934036

IUPAC5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)N(Cc2sccc2C)C2CC2)ccc1OC
InChIInChI=1S/C19H23N3O3S/c1-12-8-9-26-17(12)11-22(14-5-6-14)19(24)21-13-4-7-16(25-3)15(10-13)18(23)20-2/h4,7-10,14H,5-6,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyGVOZOPIOUQHYJJ-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.62
Rot. Bonds6

About 5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide

5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide (PubChem CID 72934036) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide
PubChem CID72934036
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)N(Cc2sccc2C)C2CC2)ccc1OC
InChIInChI=1S/C19H23N3O3S/c1-12-8-9-26-17(12)11-22(14-5-6-14)19(24)21-13-4-7-16(25-3)15(10-13)18(23)20-2/h4,7-10,14H,5-6,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyGVOZOPIOUQHYJJ-UHFFFAOYSA-N
XLogP3.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide with MolForge

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Related Compounds

1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea
CID 87009003
5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide
CID 126450011
2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 1031230
2-[cyclopropyl-[(3,5-dimethoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3620471
5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide
CID 118766247
N-[4-methoxy-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 9406654
N-benzyl-2-[cyclopropyl-[(4-methylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 46114415
N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 72872136
3-(1,3-benzodioxol-5-yl)-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 51301850
1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea
CID 119065959
2-methoxy-5-[[2-methoxyethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 46984935
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209379

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide (CID 72934036) is 5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide is CNC(=O)c1cc(NC(=O)N(Cc2sccc2C)C2CC2)ccc1OC.
What is the InChIKey of 5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide?
The InChIKey is GVOZOPIOUQHYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12-8-9-26-17(12)11-22(14-5-6-14)19(24)21-13-4-7-16(25-3)15(10-13)18(23)20-2/h4,7-10,14H,5-6,11H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide?
5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide has a molecular weight of 373.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 72934036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).