1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide

C17H25N3O4S — CID 109131648

IUPAC1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCCC(C)NC(=O)C1CC1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H25N3O4S/c1-3-11(2)20-17(22)15-10-14(15)16(21)19-9-8-12-4-6-13(7-5-12)25(18,23)24/h4-7,11,14-15H,3,8-10H2,1-2H3,(H,19,21)(H,20,22)(H2,18,23,24)
InChIKeyAOADCMXLJBPUCP-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.54
Rot. Bonds8

About 1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide

1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109131648) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109131648
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCCC(C)NC(=O)C1CC1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H25N3O4S/c1-3-11(2)20-17(22)15-10-14(15)16(21)19-9-8-12-4-6-13(7-5-12)25(18,23)24/h4-7,11,14-15H,3,8-10H2,1-2H3,(H,19,21)(H,20,22)(H2,18,23,24)
InChIKeyAOADCMXLJBPUCP-UHFFFAOYSA-N
XLogP0.54
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N-diethyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138558
1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138562
N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 108993382
N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64766938
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
CID 81425700
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
trans-(1S,3S)-2,2-dimethyl-3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95390266
trans-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8019903
(2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125435841
1-(2-methylpropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 113182044
(2S)-2-N-[2-(4-hydroxyphenyl)ethyl]-1-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]cyclopropane-1,2-dicarboxamide
CID 90047899

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide (CID 109131648) is 1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide is CCC(C)NC(=O)C1CC1C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is AOADCMXLJBPUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-3-11(2)20-17(22)15-10-14(15)16(21)19-9-8-12-4-6-13(7-5-12)25(18,23)24/h4-7,11,14-15H,3,8-10H2,1-2H3,(H,19,21)(H,20,22)(H2,18,23,24).
What are the key properties of 1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 367.47 g/mol, XLogP of 0.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).