4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide

C19H24N2O5S — CID 18111301

IUPAC4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCCc2ccco2)cc1
InChIInChI=1S/C19H24N2O5S/c1-15(22)16-7-9-18(10-8-16)27(24,25)21(2)13-3-6-19(23)20-12-11-17-5-4-14-26-17/h4-5,7-10,14H,3,6,11-13H2,1-2H3,(H,20,23)
InChIKeyDJRXNTXRWWIRFI-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.24
Rot. Bonds10

About 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide

4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide (PubChem CID 18111301) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide
PubChem CID18111301
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCCc2ccco2)cc1
InChIInChI=1S/C19H24N2O5S/c1-15(22)16-7-9-18(10-8-16)27(24,25)21(2)13-3-6-19(23)20-12-11-17-5-4-14-26-17/h4-5,7-10,14H,3,6,11-13H2,1-2H3,(H,20,23)
InChIKeyDJRXNTXRWWIRFI-UHFFFAOYSA-N
XLogP2.24
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide
CID 2216242
2-[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]acetic acid
CID 119349970
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
CID 40695620
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(2-amino-2-methylpropyl)butanamide
CID 119629209
4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide
CID 18121131
N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 60566227
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide
CID 18228839
N-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100588449
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide
CID 30844560
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide
CID 119430306
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide
CID 18206824
N-(3-aminopropyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide;hydrochloride
CID 119405561

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide?
The IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide (CID 18111301) is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide.
What is the SMILES notation for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide?
The canonical SMILES for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide is CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCCc2ccco2)cc1.
What is the InChIKey of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide?
The InChIKey is DJRXNTXRWWIRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-15(22)16-7-9-18(10-8-16)27(24,25)21(2)13-3-6-19(23)20-12-11-17-5-4-14-26-17/h4-5,7-10,14H,3,6,11-13H2,1-2H3,(H,20,23).
What are the key properties of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide?
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide has a molecular weight of 392.48 g/mol, XLogP of 2.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide is sourced from PubChem (CID 18111301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).