3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C19H25N3O5S2 — CID 2108302

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C19H25N3O5S2/c1-14-3-6-18(13-15(14)2)29(26,27)22-12-10-19(23)21-11-9-16-4-7-17(8-5-16)28(20,24)25/h3-8,13,22H,9-12H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyDSTOGZZLIUZQCI-UHFFFAOYSA-N
MW439.56 g/mol
LogP0.98
Rot. Bonds9

About 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 2108302) has the molecular formula C19H25N3O5S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID2108302
Molecular FormulaC19H25N3O5S2
Molecular Weight439.56 g/mol
Exact Mass439.12
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C19H25N3O5S2/c1-14-3-6-18(13-15(14)2)29(26,27)22-12-10-19(23)21-11-9-16-4-7-17(8-5-16)28(20,24)25/h3-8,13,22H,9-12H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyDSTOGZZLIUZQCI-UHFFFAOYSA-N
XLogP0.98
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)acetamide
CID 11414131
N-((2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl)-2-propylpentanamide
CID 23653514
2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide
CID 11537386
N-{2-[7-(Methylsulfamoyl)naphthalen-1-Yl]ethyl}acetamide
CID 18175028
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
Sulfonamide deriv., 7c
CID 3433937
2-Butylamido-5-sulfonamidoindane
CID 11529486
2-Propylamido-5-sulfonamidoindane
CID 11536481
2-Ethylamido-5-sulfonamidoindane
CID 11543564
N-[2-(4-sulfamoylphenyl)ethyl]-3-[(2-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}ethyl)disulfanyl]propanamide
CID 16082757
N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide
CID 23645368

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 2108302) is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is DSTOGZZLIUZQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S2/c1-14-3-6-18(13-15(14)2)29(26,27)22-12-10-19(23)21-11-9-16-4-7-17(8-5-16)28(20,24)25/h3-8,13,22H,9-12H2,1-2H3,(H,21,23)(H2,20,24,25).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 439.56 g/mol, XLogP of 0.98, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 2108302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).