N-[2-(4-sulfamoylphenyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide

C23H29N3O4S — CID 108510830

IUPACN-[2-(4-sulfamoylphenyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
SMILESCCC(NC(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H29N3O4S/c1-2-21(19-10-9-17-5-3-4-6-18(17)15-19)26-23(28)22(27)25-14-13-16-7-11-20(12-8-16)31(24,29)30/h7-12,15,21H,2-6,13-14H2,1H3,(H,25,27)(H,26,28)(H2,24,29,30)
InChIKeyJTMKLFBNXHDHBP-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.14
Rot. Bonds7

About N-[2-(4-sulfamoylphenyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide

N-[2-(4-sulfamoylphenyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide (PubChem CID 108510830) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
PubChem CID108510830
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
SMILESCCC(NC(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H29N3O4S/c1-2-21(19-10-9-17-5-3-4-6-18(17)15-19)26-23(28)22(27)25-14-13-16-7-11-20(12-8-16)31(24,29)30/h7-12,15,21H,2-6,13-14H2,1H3,(H,25,27)(H,26,28)(H2,24,29,30)
InChIKeyJTMKLFBNXHDHBP-UHFFFAOYSA-N
XLogP2.14
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
N-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510725
N'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108510380
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
N-(2-tert-butylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510829
N-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510820
N-(2,4-dimethylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510706
N-(2,4-dichlorophenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108502741
N-[1-(1-adamantyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108509001
N-[(4-sulfamoylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 17419772
N-(2-ethyl-6-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510687
2-methyl-5-sulfamoyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 27886555

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide (CID 108510830) is N-[2-(4-sulfamoylphenyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide is CCC(NC(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
The InChIKey is JTMKLFBNXHDHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-2-21(19-10-9-17-5-3-4-6-18(17)15-19)26-23(28)22(27)25-14-13-16-7-11-20(12-8-16)31(24,29)30/h7-12,15,21H,2-6,13-14H2,1H3,(H,25,27)(H,26,28)(H2,24,29,30).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
N-[2-(4-sulfamoylphenyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide has a molecular weight of 443.57 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide is sourced from PubChem (CID 108510830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).