N-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide

C21H28N2O3S — CID 113143022

IUPACN-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide
SMILESCCc1ccccc1NC(=O)CCN(c1ccccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-5-17-10-6-8-12-19(17)22-21(24)14-15-23(27(4,25)26)20-13-9-7-11-18(20)16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)
InChIKeyGIRFZZQEWYDHDT-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.17
Rot. Bonds8

About N-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide

N-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide (PubChem CID 113143022) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide
PubChem CID113143022
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide
SMILESCCc1ccccc1NC(=O)CCN(c1ccccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-5-17-10-6-8-12-19(17)22-21(24)14-15-23(27(4,25)26)20-13-9-7-11-18(20)16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)
InChIKeyGIRFZZQEWYDHDT-UHFFFAOYSA-N
XLogP4.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide
CID 113143001
N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30257850
3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113143230
N-(2,3-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30262005
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
CID 21366899
N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide
CID 43899854
N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide
CID 113142761
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide
CID 30257747
N-tert-butyl-3-(2-ethyl-N-methylsulfonylanilino)propanamide
CID 113142715
2-(2-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1317403
4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
CID 9173695
N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 846890

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide?
The IUPAC name of N-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide (CID 113143022) is N-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide is CCc1ccccc1NC(=O)CCN(c1ccccc1C(C)C)S(C)(=O)=O.
What is the InChIKey of N-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide?
The InChIKey is GIRFZZQEWYDHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-17-10-6-8-12-19(17)22-21(24)14-15-23(27(4,25)26)20-13-9-7-11-18(20)16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,22,24).
What are the key properties of N-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide?
N-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide has a molecular weight of 388.53 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(N-methylsulfonyl-2-propan-2-ylanilino)propanamide is sourced from PubChem (CID 113143022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).