4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide

C20H25N3O4S — CID 9441797

IUPAC4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(C(N)=O)cc2)c1C
InChIInChI=1S/C20H25N3O4S/c1-12-11-13(2)15(4)19(14(12)3)28(26,27)22-10-9-18(24)23-17-7-5-16(6-8-17)20(21)25/h5-8,11,22H,9-10H2,1-4H3,(H2,21,25)(H,23,24)
InChIKeyIREZZXXCUFHXST-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.33
Rot. Bonds7

About 4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide

4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide (PubChem CID 9441797) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide
PubChem CID9441797
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(C(N)=O)cc2)c1C
InChIInChI=1S/C20H25N3O4S/c1-12-11-13(2)15(4)19(14(12)3)28(26,27)22-10-9-18(24)23-17-7-5-16(6-8-17)20(21)25/h5-8,11,22H,9-10H2,1-4H3,(H2,21,25)(H,23,24)
InChIKeyIREZZXXCUFHXST-UHFFFAOYSA-N
XLogP2.33
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide
CID 9441778
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 9441750
4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide
CID 26636174
N-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
CID 43052309
N-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
CID 26589741
4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 9441800
N-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119516505
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 46424583
N-(4-ethoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26561482
[2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
CID 7828802
propyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
CID 78846405

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide?
The IUPAC name of 4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide (CID 9441797) is 4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide is Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(C(N)=O)cc2)c1C.
What is the InChIKey of 4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide?
The InChIKey is IREZZXXCUFHXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-12-11-13(2)15(4)19(14(12)3)28(26,27)22-10-9-18(24)23-17-7-5-16(6-8-17)20(21)25/h5-8,11,22H,9-10H2,1-4H3,(H2,21,25)(H,23,24).
What are the key properties of 4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide?
4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide is sourced from PubChem (CID 9441797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).