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

C18H23N3O5S2 — CID 33426034

IUPACN-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H23N3O5S2/c1-14-2-7-17(8-3-14)28(25,26)21-13-12-20-18(22)11-6-15-4-9-16(10-5-15)27(19,23)24/h2-5,7-10,21H,6,11-13H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyVJAPIDAMKVXXQJ-UHFFFAOYSA-N
MW425.53 g/mol
LogP0.67
Rot. Bonds9

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

N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide (PubChem CID 33426034) has the molecular formula C18H23N3O5S2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
PubChem CID33426034
Molecular FormulaC18H23N3O5S2
Molecular Weight425.53 g/mol
Exact Mass425.11
IUPAC NameN-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H23N3O5S2/c1-14-2-7-17(8-3-14)28(25,26)21-13-12-20-18(22)11-6-15-4-9-16(10-5-15)27(19,23)24/h2-5,7-10,21H,6,11-13H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyVJAPIDAMKVXXQJ-UHFFFAOYSA-N
XLogP0.67
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
CID 33338052
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24537163
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027623
7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide
CID 119704157
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161
N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
CID 60651835
3-(4-ethoxy-3-methoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108574295
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109019770

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide (CID 33426034) is N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide is Cc1ccc(S(=O)(=O)NCCNC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is VJAPIDAMKVXXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S2/c1-14-2-7-17(8-3-14)28(25,26)21-13-12-20-18(22)11-6-15-4-9-16(10-5-15)27(19,23)24/h2-5,7-10,21H,6,11-13H2,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide?
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 425.53 g/mol, XLogP of 0.67, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 33426034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).