3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide

C18H21ClN2O4S — CID 55869859

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-13(2)25-16-8-6-15(7-9-16)21-18(22)10-11-20-26(23,24)17-5-3-4-14(19)12-17/h3-9,12-13,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyFFGKYLIIONEQCE-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.43
Rot. Bonds8

About 3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide

3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 55869859) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID55869859
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-13(2)25-16-8-6-15(7-9-16)21-18(22)10-11-20-26(23,24)17-5-3-4-14(19)12-17/h3-9,12-13,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyFFGKYLIIONEQCE-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide
CID 26636174
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CID 60516647
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide
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3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109038449
N-(4-acetamidophenyl)-2-[(3-chlorophenyl)sulfonylamino]acetamide
CID 112999785
3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557578
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55977497
3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 26538610
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CID 26578624

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide (CID 55869859) is 3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is FFGKYLIIONEQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-13(2)25-16-8-6-15(7-9-16)21-18(22)10-11-20-26(23,24)17-5-3-4-14(19)12-17/h3-9,12-13,20H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 396.90 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 55869859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).