[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate

C17H26N2O5S — CID 43033083

IUPAC[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NC(C)CCC(C)C
InChIInChI=1S/C17H26N2O5S/c1-11(2)5-7-13(4)19-16(20)10-24-17(21)15-9-14(25(18,22)23)8-6-12(15)3/h6,8-9,11,13H,5,7,10H2,1-4H3,(H,19,20)(H2,18,22,23)
InChIKeyLDPVWTRSJCDTJW-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.74
Rot. Bonds8

About [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate

[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate (PubChem CID 43033083) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
PubChem CID43033083
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NC(C)CCC(C)C
InChIInChI=1S/C17H26N2O5S/c1-11(2)5-7-13(4)19-16(20)10-24-17(21)15-9-14(25(18,22)23)8-6-12(15)3/h6,8-9,11,13H,5,7,10H2,1-4H3,(H,19,20)(H2,18,22,23)
InChIKeyLDPVWTRSJCDTJW-UHFFFAOYSA-N
XLogP1.74
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate
CID 46608312
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methyl-5-methylsulfonylbenzoate
CID 16518241
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55320891
2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide
CID 46515920
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 55320330
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 42985823
[2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679679
[2-oxo-2-(propan-2-ylamino)ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7467931
[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55320965
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519664
2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 42940827
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108

Frequently Asked Questions

What is the IUPAC name of [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate?
The IUPAC name of [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate (CID 43033083) is [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate.
What is the SMILES notation for [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate?
The canonical SMILES for [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate is Cc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NC(C)CCC(C)C.
What is the InChIKey of [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate?
The InChIKey is LDPVWTRSJCDTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-11(2)5-7-13(4)19-16(20)10-24-17(21)15-9-14(25(18,22)23)8-6-12(15)3/h6,8-9,11,13H,5,7,10H2,1-4H3,(H,19,20)(H2,18,22,23).
What are the key properties of [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate?
[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate has a molecular weight of 370.47 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate is sourced from PubChem (CID 43033083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).