5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide

C22H29N3O4S — CID 55948933

IUPAC5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C
InChIInChI=1S/C22H29N3O4S/c1-4-17(3)25-21(26)12-13-23-22(27)20-14-19(11-10-16(20)2)30(28,29)24-15-18-8-6-5-7-9-18/h5-11,14,17,24H,4,12-13,15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyAOCARCLGKLAYPB-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.51
Rot. Bonds10

About 5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide

5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide (PubChem CID 55948933) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
PubChem CID55948933
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C
InChIInChI=1S/C22H29N3O4S/c1-4-17(3)25-21(26)12-13-23-22(27)20-14-19(11-10-16(20)2)30(28,29)24-15-18-8-6-5-7-9-18/h5-11,14,17,24H,4,12-13,15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyAOCARCLGKLAYPB-UHFFFAOYSA-N
XLogP2.51
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
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5-(benzylsulfamoyl)-2-methyl-N-(2-methylbutan-2-yl)benzamide
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5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
CID 33305075
5-(benzylsulfamoyl)-2-[[(2R)-butan-2-yl]amino]benzoic acid
CID 99984205
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CID 42940283

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide (CID 55948933) is 5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide is CCC(C)NC(=O)CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C.
What is the InChIKey of 5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide?
The InChIKey is AOCARCLGKLAYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-4-17(3)25-21(26)12-13-23-22(27)20-14-19(11-10-16(20)2)30(28,29)24-15-18-8-6-5-7-9-18/h5-11,14,17,24H,4,12-13,15H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of 5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide?
5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide has a molecular weight of 431.56 g/mol, XLogP of 2.51, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 55948933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).