N'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide

C17H17N5O4S — CID 108529242

IUPACN'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C17H17N5O4S/c18-27(25,26)13-4-1-11(2-5-13)7-8-19-16(23)17(24)22-12-3-6-14-15(9-12)21-10-20-14/h1-6,9-10H,7-8H2,(H,19,23)(H,20,21)(H,22,24)(H2,18,25,26)
InChIKeyYRFGRDCZXBNHGX-UHFFFAOYSA-N
MW387.42 g/mol
LogP0.51
Rot. Bonds5

About N'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide

N'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide (PubChem CID 108529242) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is N'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
PubChem CID108529242
Molecular FormulaC17H17N5O4S
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC NameN'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C17H17N5O4S/c18-27(25,26)13-4-1-11(2-5-13)7-8-19-16(23)17(24)22-12-3-6-14-15(9-12)21-10-20-14/h1-6,9-10H,7-8H2,(H,19,23)(H,20,21)(H,22,24)(H2,18,25,26)
InChIKeyYRFGRDCZXBNHGX-UHFFFAOYSA-N
XLogP0.51
TPSA147.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 108506743
4-[[[2-(3H-benzimidazol-5-ylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzenesulfonamide
CID 87745096
N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108509374
N-(2-hydroxyethyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508767
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108530246
4-[2-(3H-benzimidazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 115163730
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
1-(3H-benzimidazol-5-yl)-3-[(4-fluorophenyl)methyl]thiourea
CID 25062914
N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide
CID 110759965
1-(4-chloro-3-fluorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51116721
1-[4-(4-methylanilino)quinazolin-6-yl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 164628628

Frequently Asked Questions

What is the IUPAC name of N'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The IUPAC name of N'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide (CID 108529242) is N'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide is NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of N'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The InChIKey is YRFGRDCZXBNHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S/c18-27(25,26)13-4-1-11(2-5-13)7-8-19-16(23)17(24)22-12-3-6-14-15(9-12)21-10-20-14/h1-6,9-10H,7-8H2,(H,19,23)(H,20,21)(H,22,24)(H2,18,25,26).
What are the key properties of N'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
N'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide has a molecular weight of 387.42 g/mol, XLogP of 0.51, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide is sourced from PubChem (CID 108529242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).