N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

C21H28N2O3S — CID 55789846

IUPACN-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(C)c1ccc(CCC(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-15(2)18-8-5-17(6-9-18)7-14-21(24)23(4)16(3)19-10-12-20(13-11-19)27(22,25)26/h5-6,8-13,15-16H,7,14H2,1-4H3,(H2,22,25,26)
InChIKeyGBSNHHGUODWBCT-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.61
Rot. Bonds7

About N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 55789846) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID55789846
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(C)c1ccc(CCC(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-15(2)18-8-5-17(6-9-18)7-14-21(24)23(4)16(3)19-10-12-20(13-11-19)27(22,25)26/h5-6,8-13,15-16H,7,14H2,1-4H3,(H2,22,25,26)
InChIKeyGBSNHHGUODWBCT-UHFFFAOYSA-N
XLogP3.61
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 42919947
3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 51292168
2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 42919756
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 119585107
4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919954
2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 55439516
4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 55439563
2-(4-chlorophenoxy)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253861
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 47141179
N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide
CID 38591628
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817
4-[(3R)-3-aminobutyl]benzenesulfonamide
CID 54189732

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (CID 55789846) is N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is CC(C)c1ccc(CCC(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is GBSNHHGUODWBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-15(2)18-8-5-17(6-9-18)7-14-21(24)23(4)16(3)19-10-12-20(13-11-19)27(22,25)26/h5-6,8-13,15-16H,7,14H2,1-4H3,(H2,22,25,26).
What are the key properties of N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 388.53 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 55789846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).