N-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

C22H31FN2O3S — CID 30847044

IUPACN-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
SMILESCN(CCCC(=O)NCC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H31FN2O3S/c1-25(29(27,28)20-6-4-19(23)5-7-20)8-2-3-21(26)24-15-22-12-16-9-17(13-22)11-18(10-16)14-22/h4-7,16-18H,2-3,8-15H2,1H3,(H,24,26)
InChIKeyDYYCWEKTAUBSOH-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.56
Rot. Bonds8

About N-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

N-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide (PubChem CID 30847044) has the molecular formula C22H31FN2O3S and a molecular weight of 422.57 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
PubChem CID30847044
Molecular FormulaC22H31FN2O3S
Molecular Weight422.57 g/mol
Exact Mass422.20
IUPAC NameN-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
SMILESCN(CCCC(=O)NCC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H31FN2O3S/c1-25(29(27,28)20-6-4-19(23)5-7-20)8-2-3-21(26)24-15-22-12-16-9-17(13-22)11-18(10-16)14-22/h4-7,16-18H,2-3,8-15H2,1H3,(H,24,26)
InChIKeyDYYCWEKTAUBSOH-UHFFFAOYSA-N
XLogP3.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-adamantyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 78798978
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide
CID 119430306
N-(3-aminopropyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide;hydrochloride
CID 119405561
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 119455910
N-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 27660395
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119534229
N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
2-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]acetic acid
CID 119213131
N-(4-ethylcyclohexyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 112816434
2-[2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]ethylsulfanyl]acetic acid
CID 119241419
N-[1-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46806846
N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 60566227

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The IUPAC name of N-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide (CID 30847044) is N-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The canonical SMILES for N-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide is CN(CCCC(=O)NCC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The InChIKey is DYYCWEKTAUBSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O3S/c1-25(29(27,28)20-6-4-19(23)5-7-20)8-2-3-21(26)24-15-22-12-16-9-17(13-22)11-18(10-16)14-22/h4-7,16-18H,2-3,8-15H2,1H3,(H,24,26).
What are the key properties of N-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
N-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide has a molecular weight of 422.57 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide is sourced from PubChem (CID 30847044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).