N-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide

C24H25NO4S — CID 118757005

IUPACN-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide
SMILESCOc1cccc(C(=O)N(Cc2ccc(OCc3ccsc3)cc2)C2CC2)c1OC
InChIInChI=1S/C24H25NO4S/c1-27-22-5-3-4-21(23(22)28-2)24(26)25(19-8-9-19)14-17-6-10-20(11-7-17)29-15-18-12-13-30-16-18/h3-7,10-13,16,19H,8-9,14-15H2,1-2H3
InChIKeyOREYCAXZXJQWNZ-UHFFFAOYSA-N
MW423.53 g/mol
LogP5.15
Rot. Bonds9

About N-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide

N-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide (PubChem CID 118757005) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is N-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide
PubChem CID118757005
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC NameN-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide
SMILESCOc1cccc(C(=O)N(Cc2ccc(OCc3ccsc3)cc2)C2CC2)c1OC
InChIInChI=1S/C24H25NO4S/c1-27-22-5-3-4-21(23(22)28-2)24(26)25(19-8-9-19)14-17-6-10-20(11-7-17)29-15-18-12-13-30-16-18/h3-7,10-13,16,19H,8-9,14-15H2,1-2H3
InChIKeyOREYCAXZXJQWNZ-UHFFFAOYSA-N
XLogP5.15
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.53
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 45227451
2,3-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 26334698
N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide
CID 134010441
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 55138412
N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095899
N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 72717904
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991055
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 62045651
N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide
CID 51055390
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide
CID 16606789
2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826026
N-cyclopropyl-2-methoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095976

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide (CID 118757005) is N-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide is COc1cccc(C(=O)N(Cc2ccc(OCc3ccsc3)cc2)C2CC2)c1OC.
What is the InChIKey of N-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide?
The InChIKey is OREYCAXZXJQWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-27-22-5-3-4-21(23(22)28-2)24(26)25(19-8-9-19)14-17-6-10-20(11-7-17)29-15-18-12-13-30-16-18/h3-7,10-13,16,19H,8-9,14-15H2,1-2H3.
What are the key properties of N-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide?
N-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide has a molecular weight of 423.53 g/mol, XLogP of 5.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 118757005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).