4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide

C21H28N2O3S — CID 42921742

IUPAC4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCC(C)c1ccc(C(C)NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-15(2)18-9-11-19(12-10-18)16(3)23-21(24)20-7-5-17(6-8-20)13-14-22-27(4,25)26/h5-12,15-16,22H,13-14H2,1-4H3,(H,23,24)
InChIKeyZHADNZYTSZAGTL-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.39
Rot. Bonds8

About 4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide

4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide (PubChem CID 42921742) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
PubChem CID42921742
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCC(C)c1ccc(C(C)NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-15(2)18-9-11-19(12-10-18)16(3)23-21(24)20-7-5-17(6-8-20)13-14-22-27(4,25)26/h5-12,15-16,22H,13-14H2,1-4H3,(H,23,24)
InChIKeyZHADNZYTSZAGTL-UHFFFAOYSA-N
XLogP3.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 30480070
4-[2-(methanesulfonamido)ethyl]-N-(4-propan-2-ylphenyl)benzamide
CID 27007439
3-(4-chlorophenyl)-3-[[4-[2-(methanesulfonamido)ethyl]benzoyl]amino]propanoic acid
CID 167882502
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 8751478
3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 36614257
4-[2-(methanesulfonamido)ethyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 27017885
N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 22109501
N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide
CID 7131893
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26957780
N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide
CID 110667350
4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 96534711

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide?
The IUPAC name of 4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide (CID 42921742) is 4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide is CC(C)c1ccc(C(C)NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide?
The InChIKey is ZHADNZYTSZAGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-15(2)18-9-11-19(12-10-18)16(3)23-21(24)20-7-5-17(6-8-20)13-14-22-27(4,25)26/h5-12,15-16,22H,13-14H2,1-4H3,(H,23,24).
What are the key properties of 4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide?
4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide has a molecular weight of 388.53 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 42921742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).