N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide

C18H22N2O5S — CID 17192613

IUPACN-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H22N2O5S/c1-24-15-5-3-14(4-6-15)13-19-18(21)11-12-20-26(22,23)17-9-7-16(25-2)8-10-17/h3-10,20H,11-13H2,1-2H3,(H,19,21)
InChIKeyJRSDBYWIARAOGW-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.69
Rot. Bonds9

About N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide

N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 17192613) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID17192613
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H22N2O5S/c1-24-15-5-3-14(4-6-15)13-19-18(21)11-12-20-26(22,23)17-9-7-16(25-2)8-10-17/h3-10,20H,11-13H2,1-2H3,(H,19,21)
InChIKeyJRSDBYWIARAOGW-UHFFFAOYSA-N
XLogP1.69
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 5154817
N-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24644960
3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 17192561
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 27646822
N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577873
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24538291
3-[(4-methoxyphenyl)sulfonylamino]-N-nonylpropanamide
CID 43052252
N-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 122175155
2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791
N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9495720
3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
CID 25403468

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 17192613) is N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide is COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is JRSDBYWIARAOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-15-5-3-14(4-6-15)13-19-18(21)11-12-20-26(22,23)17-9-7-16(25-2)8-10-17/h3-10,20H,11-13H2,1-2H3,(H,19,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 378.45 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17192613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).