N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanamide

C18H28N2O4S2 — CID 3318735

IUPACN-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanamide
SMILESCOc1ccc(S(=O)(=O)NC(CCSC)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H28N2O4S2/c1-24-15-8-10-16(11-9-15)26(22,23)20-17(12-13-25-2)18(21)19-14-6-4-3-5-7-14/h8-11,14,17,20H,3-7,12-13H2,1-2H3,(H,19,21)
InChIKeyXWXXYHCZNBAAIQ-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.54
Rot. Bonds9

About N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanamide

N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanamide (PubChem CID 3318735) has the molecular formula C18H28N2O4S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanamide
PubChem CID3318735
Molecular FormulaC18H28N2O4S2
Molecular Weight400.57 g/mol
Exact Mass400.15
IUPAC NameN-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanamide
SMILESCOc1ccc(S(=O)(=O)NC(CCSC)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H28N2O4S2/c1-24-15-8-10-16(11-9-15)26(22,23)20-17(12-13-25-2)18(21)19-14-6-4-3-5-7-14/h8-11,14,17,20H,3-7,12-13H2,1-2H3,(H,19,21)
InChIKeyXWXXYHCZNBAAIQ-UHFFFAOYSA-N
XLogP2.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-Hydroxy-4-((4-Methoxylphenyl)Sulfonyl)-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide
CID 5288814
(3S)-4-{[4-(But-2-ynyloxy)phenyl]sulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
CID 5288615
4-((4-((4-Aminobut-2-ynyl)oxy)phenyl)sulfonyl)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
CID 6102708
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4-(methylsulfanyl)butanamide
CID 10693625
N-[6-oxo-6-[(3S,4S)-3-[(4-phenoxyphenyl)sulfonylamino]-4-sulfanylpyrrolidin-1-yl]hexyl]acetamide
CID 46175162
4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-benzenesulfonyl)-amino]-butyramide
CID 9912382
(S)-N-hydroxy-4-(4-methoxyphenylsulfonyl)-2,2-dimethyl-1,4-thiazepane-3-carboxamide
CID 9976697
4-(4-Methoxy-benzenesulfonyl)-thiomorpholine-3-carboxylic acid hydroxyamide
CID 10019658
(S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid hydroxyamide
CID 10498747
(S)-4-(4-butoxyphenylsulfonyl)-N-hydroxy-2,2-dimethyl-1,4-thiazepane-3-carboxamide
CID 10502046
(S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,4]thiazonane-3-carboxylic acid hydroxyamide
CID 10549114
(3S)-4-(4-butoxyphenyl)sulfonyl-N-hydroxy-2,2-dimethyl-1,1-dioxo-1,4-thiazepane-3-carboxamide
CID 10599594

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The IUPAC name of N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanamide (CID 3318735) is N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The canonical SMILES for N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanamide is COc1ccc(S(=O)(=O)NC(CCSC)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The InChIKey is XWXXYHCZNBAAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S2/c1-24-15-8-10-16(11-9-15)26(22,23)20-17(12-13-25-2)18(21)19-14-6-4-3-5-7-14/h8-11,14,17,20H,3-7,12-13H2,1-2H3,(H,19,21).
What are the key properties of N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanamide has a molecular weight of 400.57 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanamide is sourced from PubChem (CID 3318735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).