N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide

C19H22Cl2N2O4S — CID 26622464

IUPACN-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H22Cl2N2O4S/c1-3-27-15-5-7-16(8-6-15)28(25,26)22-11-10-19(24)23(2)13-14-4-9-17(20)18(21)12-14/h4-9,12,22H,3,10-11,13H2,1-2H3
InChIKeyPLQPWPBXRJQQDS-UHFFFAOYSA-N
MW445.37 g/mol
LogP3.72
Rot. Bonds9

About N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide

N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 26622464) has the molecular formula C19H22Cl2N2O4S and a molecular weight of 445.37 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
PubChem CID26622464
Molecular FormulaC19H22Cl2N2O4S
Molecular Weight445.37 g/mol
Exact Mass444.07
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H22Cl2N2O4S/c1-3-27-15-5-7-16(8-6-15)28(25,26)22-11-10-19(24)23(2)13-14-4-9-17(20)18(21)12-14/h4-9,12,22H,3,10-11,13H2,1-2H3
InChIKeyPLQPWPBXRJQQDS-UHFFFAOYSA-N
XLogP3.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 31327075
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide
CID 55403495
3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide
CID 78843826
N-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 119656064
N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 26594048
N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 36521100
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 24548621
N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride
CID 119660473
3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 31238693
3-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 24660216
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 55351922
N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 55348829

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide (CID 26622464) is N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is PLQPWPBXRJQQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S/c1-3-27-15-5-7-16(8-6-15)28(25,26)22-11-10-19(24)23(2)13-14-4-9-17(20)18(21)12-14/h4-9,12,22H,3,10-11,13H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide?
N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 445.37 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 26622464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).