4-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide

C24H34N2O3S — CID 133200487

IUPAC4-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide
SMILESCCc1cccc(CC)c1N(CCCC(=O)NCC(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C24H34N2O3S/c1-5-20-14-10-15-21(6-2)24(20)26(30(4,28)29)17-11-16-23(27)25-18-19(3)22-12-8-7-9-13-22/h7-10,12-15,19H,5-6,11,16-18H2,1-4H3,(H,25,27)
InChIKeyWWMQRSNXWVRBEO-UHFFFAOYSA-N
MW430.61 g/mol
LogP4.28
Rot. Bonds11

About 4-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide

4-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide (PubChem CID 133200487) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is 4-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide.

Molecular Properties

Compound Name4-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide
PubChem CID133200487
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC Name4-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide
SMILESCCc1cccc(CC)c1N(CCCC(=O)NCC(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C24H34N2O3S/c1-5-20-14-10-15-21(6-2)24(20)26(30(4,28)29)17-11-16-23(27)25-18-19(3)22-12-8-7-9-13-22/h7-10,12-15,19H,5-6,11,16-18H2,1-4H3,(H,25,27)
InChIKeyWWMQRSNXWVRBEO-UHFFFAOYSA-N
XLogP4.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.61
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide
CID 133202056
4-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide
CID 133218516
4-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-2-phenylpropyl]butanamide
CID 100500066
4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide
CID 133201998
2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide
CID 32755968
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069288
N-benzhydryl-4-(N-methylsulfonylanilino)butanamide
CID 9173073
3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113143230
4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
CID 53285441
N-(2-ethylhexyl)-4-(N-methylsulfonyl-2-propan-2-ylanilino)butanamide
CID 133200489
3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide
CID 94107192
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058105

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide?
The IUPAC name of 4-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide (CID 133200487) is 4-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide.
What is the SMILES notation for 4-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide?
The canonical SMILES for 4-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide is CCc1cccc(CC)c1N(CCCC(=O)NCC(C)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 4-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide?
The InChIKey is WWMQRSNXWVRBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-5-20-14-10-15-21(6-2)24(20)26(30(4,28)29)17-11-16-23(27)25-18-19(3)22-12-8-7-9-13-22/h7-10,12-15,19H,5-6,11,16-18H2,1-4H3,(H,25,27).
What are the key properties of 4-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide?
4-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide has a molecular weight of 430.61 g/mol, XLogP of 4.28, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide is sourced from PubChem (CID 133200487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).