3-[methyl-(4-phenylcyclohexyl)amino]-N-(3-sulfamoylphenyl)propanamide

C22H29N3O3S — CID 56525993

IUPAC3-[methyl-(4-phenylcyclohexyl)amino]-N-(3-sulfamoylphenyl)propanamide
SMILESCN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H29N3O3S/c1-25(20-12-10-18(11-13-20)17-6-3-2-4-7-17)15-14-22(26)24-19-8-5-9-21(16-19)29(23,27)28/h2-9,16,18,20H,10-15H2,1H3,(H,24,26)(H2,23,27,28)
InChIKeyKFWXQRRDHWEHPG-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.32
Rot. Bonds7

About 3-[methyl-(4-phenylcyclohexyl)amino]-N-(3-sulfamoylphenyl)propanamide

3-[methyl-(4-phenylcyclohexyl)amino]-N-(3-sulfamoylphenyl)propanamide (PubChem CID 56525993) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 3-[methyl-(4-phenylcyclohexyl)amino]-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[methyl-(4-phenylcyclohexyl)amino]-N-(3-sulfamoylphenyl)propanamide
PubChem CID56525993
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name3-[methyl-(4-phenylcyclohexyl)amino]-N-(3-sulfamoylphenyl)propanamide
SMILESCN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H29N3O3S/c1-25(20-12-10-18(11-13-20)17-6-3-2-4-7-17)15-14-22(26)24-19-8-5-9-21(16-19)29(23,27)28/h2-9,16,18,20H,10-15H2,1H3,(H,24,26)(H2,23,27,28)
InChIKeyKFWXQRRDHWEHPG-UHFFFAOYSA-N
XLogP3.32
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide
CID 113136332
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833
N-carbamoyl-3-[methyl-(4-phenylcyclohexyl)amino]propanamide;2,2,2-trifluoroacetic acid
CID 167931076
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide
CID 113136334
2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide
CID 86910871
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 8905201
3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
CID 9403583
[(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9170013
3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 56526547
3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
CID 28942449
3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 86952115

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-phenylcyclohexyl)amino]-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[methyl-(4-phenylcyclohexyl)amino]-N-(3-sulfamoylphenyl)propanamide (CID 56525993) is 3-[methyl-(4-phenylcyclohexyl)amino]-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[methyl-(4-phenylcyclohexyl)amino]-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[methyl-(4-phenylcyclohexyl)amino]-N-(3-sulfamoylphenyl)propanamide is CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of 3-[methyl-(4-phenylcyclohexyl)amino]-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is KFWXQRRDHWEHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-25(20-12-10-18(11-13-20)17-6-3-2-4-7-17)15-14-22(26)24-19-8-5-9-21(16-19)29(23,27)28/h2-9,16,18,20H,10-15H2,1H3,(H,24,26)(H2,23,27,28).
What are the key properties of 3-[methyl-(4-phenylcyclohexyl)amino]-N-(3-sulfamoylphenyl)propanamide?
3-[methyl-(4-phenylcyclohexyl)amino]-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 415.56 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-phenylcyclohexyl)amino]-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 56525993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).