N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

C18H21ClN2O4S — CID 26800125

IUPACN-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-3-25-15-6-8-16(9-7-15)26(23,24)20-11-10-18(22)21-17-12-14(19)5-4-13(17)2/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyHWNIUBHHSBLAAR-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.35
Rot. Bonds8

About N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (PubChem CID 26800125) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
PubChem CID26800125
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-3-25-15-6-8-16(9-7-15)26(23,24)20-11-10-18(22)21-17-12-14(19)5-4-13(17)2/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyHWNIUBHHSBLAAR-UHFFFAOYSA-N
XLogP3.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide
CID 55707974
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide
CID 26717747
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 9403064
N-(2,3-dimethylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26538586
N-[3-[2-[4-(4-chloro-2-methylphenoxy)butanoyl]hydrazinyl]-3-oxopropyl]-4-ethoxybenzenesulfonamide
CID 55348657
N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26694786
methyl 3-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-4-methylbenzoate
CID 9495078
N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78780570
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 112789058
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide
CID 126203239
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 112762702
N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790672

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (CID 26800125) is N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is HWNIUBHHSBLAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-3-25-15-6-8-16(9-7-15)26(23,24)20-11-10-18(22)21-17-12-14(19)5-4-13(17)2/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 396.90 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 26800125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).