N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylcyclobutane-1-carboxamide

C17H24N2O4S — CID 95140166

IUPACN-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylcyclobutane-1-carboxamide
SMILESCCNC(=O)[C@@H](C)NC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCC1
InChIInChI=1S/C17H24N2O4S/c1-4-18-15(20)13(3)19-16(21)17(10-5-11-17)24(22,23)14-8-6-12(2)7-9-14/h6-9,13H,4-5,10-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m1/s1
InChIKeyCGEHJOVLBQHOHZ-CYBMUJFWSA-N
MW352.46 g/mol
LogP1.33
Rot. Bonds6

About N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylcyclobutane-1-carboxamide

N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylcyclobutane-1-carboxamide (PubChem CID 95140166) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylcyclobutane-1-carboxamide
PubChem CID95140166
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylcyclobutane-1-carboxamide
SMILESCCNC(=O)[C@@H](C)NC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCC1
InChIInChI=1S/C17H24N2O4S/c1-4-18-15(20)13(3)19-16(21)17(10-5-11-17)24(22,23)14-8-6-12(2)7-9-14/h6-9,13H,4-5,10-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m1/s1
InChIKeyCGEHJOVLBQHOHZ-CYBMUJFWSA-N
XLogP1.33
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
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3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237490
(2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide
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CID 5039910
(2S)-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylcyclobutane-1-carboxamide?
The IUPAC name of N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylcyclobutane-1-carboxamide (CID 95140166) is N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylcyclobutane-1-carboxamide is CCNC(=O)[C@@H](C)NC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCC1.
What is the InChIKey of N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylcyclobutane-1-carboxamide?
The InChIKey is CGEHJOVLBQHOHZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-4-18-15(20)13(3)19-16(21)17(10-5-11-17)24(22,23)14-8-6-12(2)7-9-14/h6-9,13H,4-5,10-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylcyclobutane-1-carboxamide?
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylcyclobutane-1-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylcyclobutane-1-carboxamide is sourced from PubChem (CID 95140166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).