N-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide

C23H29NO4S — CID 55968895

IUPACN-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1ccc(SCCC(=O)N(Cc2ccccc2OC)CC2CCCO2)cc1
InChIInChI=1S/C23H29NO4S/c1-26-19-9-11-21(12-10-19)29-15-13-23(25)24(17-20-7-5-14-28-20)16-18-6-3-4-8-22(18)27-2/h3-4,6,8-12,20H,5,7,13-17H2,1-2H3
InChIKeyRKQLOHBQHDVNRZ-UHFFFAOYSA-N
MW415.56 g/mol
LogP4.39
Rot. Bonds10

About N-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide

N-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 55968895) has the molecular formula C23H29NO4S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
PubChem CID55968895
Molecular FormulaC23H29NO4S
Molecular Weight415.56 g/mol
Exact Mass415.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1ccc(SCCC(=O)N(Cc2ccccc2OC)CC2CCCO2)cc1
InChIInChI=1S/C23H29NO4S/c1-26-19-9-11-21(12-10-19)29-15-13-23(25)24(17-20-7-5-14-28-20)16-18-6-3-4-8-22(18)27-2/h3-4,6,8-12,20H,5,7,13-17H2,1-2H3
InChIKeyRKQLOHBQHDVNRZ-UHFFFAOYSA-N
XLogP4.39
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968507
2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729719
3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968778
3-[2-(4-chlorophenyl)sulfanylethyl]-1-[(2-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 43076453
4-ethoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968249
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703
N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 55968770
4-chloro-N-[4-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-4-oxobutyl]benzamide
CID 95351794
N-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 55967624
4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119729693
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 55969151
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968642

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide (CID 55968895) is N-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide is COc1ccc(SCCC(=O)N(Cc2ccccc2OC)CC2CCCO2)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is RKQLOHBQHDVNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4S/c1-26-19-9-11-21(12-10-19)29-15-13-23(25)24(17-20-7-5-14-28-20)16-18-6-3-4-8-22(18)27-2/h3-4,6,8-12,20H,5,7,13-17H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
N-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 415.56 g/mol, XLogP of 4.39, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 55968895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).