4-[3-[ethyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]propanoylamino]benzamide

C19H24N4O5S2 — CID 24670458

IUPAC4-[3-[ethyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]propanoylamino]benzamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H24N4O5S2/c1-3-23(17(25)13-22(2)30(27,28)18-5-4-12-29-18)11-10-16(24)21-15-8-6-14(7-9-15)19(20)26/h4-9,12H,3,10-11,13H2,1-2H3,(H2,20,26)(H,21,24)
InChIKeyWXEQINWIDCILBX-UHFFFAOYSA-N
MW452.56 g/mol
LogP1.34
Rot. Bonds10

About 4-[3-[ethyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]propanoylamino]benzamide

4-[3-[ethyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]propanoylamino]benzamide (PubChem CID 24670458) has the molecular formula C19H24N4O5S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 4-[3-[ethyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[ethyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]propanoylamino]benzamide
PubChem CID24670458
Molecular FormulaC19H24N4O5S2
Molecular Weight452.56 g/mol
Exact Mass452.12
IUPAC Name4-[3-[ethyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]propanoylamino]benzamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H24N4O5S2/c1-3-23(17(25)13-22(2)30(27,28)18-5-4-12-29-18)11-10-16(24)21-15-8-6-14(7-9-15)19(20)26/h4-9,12H,3,10-11,13H2,1-2H3,(H2,20,26)(H,21,24)
InChIKeyWXEQINWIDCILBX-UHFFFAOYSA-N
XLogP1.34
TPSA129.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]benzamide
CID 9429046
N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7685406
N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4820945
N,N-bis(2-methoxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 55327809
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide
CID 46558447
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2479907
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4824237
4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide
CID 24670510

Frequently Asked Questions

What is the IUPAC name of 4-[3-[ethyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]propanoylamino]benzamide?
The IUPAC name of 4-[3-[ethyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]propanoylamino]benzamide (CID 24670458) is 4-[3-[ethyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[ethyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[ethyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]propanoylamino]benzamide is CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of 4-[3-[ethyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]propanoylamino]benzamide?
The InChIKey is WXEQINWIDCILBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S2/c1-3-23(17(25)13-22(2)30(27,28)18-5-4-12-29-18)11-10-16(24)21-15-8-6-14(7-9-15)19(20)26/h4-9,12H,3,10-11,13H2,1-2H3,(H2,20,26)(H,21,24).
What are the key properties of 4-[3-[ethyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]propanoylamino]benzamide?
4-[3-[ethyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]propanoylamino]benzamide has a molecular weight of 452.56 g/mol, XLogP of 1.34, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[ethyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]propanoylamino]benzamide is sourced from PubChem (CID 24670458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).