2-amino-N-[(4-chlorophenyl)sulfonylcarbamoyl]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide

C16H19ClN6O5S — CID 101030246

IUPAC2-amino-N-[(4-chlorophenyl)sulfonylcarbamoyl]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide
SMILESNCC(=O)N(CC(=O)NCCc1cnc[nH]1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN6O5S/c17-11-1-3-13(4-2-11)29(27,28)22-16(26)23(15(25)7-18)9-14(24)20-6-5-12-8-19-10-21-12/h1-4,8,10H,5-7,9,18H2,(H,19,21)(H,20,24)(H,22,26)
InChIKeyGLAWKFJXMBHGEO-UHFFFAOYSA-N
MW442.89 g/mol
LogP-0.39
Rot. Bonds8

About 2-amino-N-[(4-chlorophenyl)sulfonylcarbamoyl]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide

2-amino-N-[(4-chlorophenyl)sulfonylcarbamoyl]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide (PubChem CID 101030246) has the molecular formula C16H19ClN6O5S and a molecular weight of 442.89 g/mol. Its IUPAC name is 2-amino-N-[(4-chlorophenyl)sulfonylcarbamoyl]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(4-chlorophenyl)sulfonylcarbamoyl]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide
PubChem CID101030246
Molecular FormulaC16H19ClN6O5S
Molecular Weight442.89 g/mol
Exact Mass442.08
IUPAC Name2-amino-N-[(4-chlorophenyl)sulfonylcarbamoyl]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide
SMILESNCC(=O)N(CC(=O)NCCc1cnc[nH]1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN6O5S/c17-11-1-3-13(4-2-11)29(27,28)22-16(26)23(15(25)7-18)9-14(24)20-6-5-12-8-19-10-21-12/h1-4,8,10H,5-7,9,18H2,(H,19,21)(H,20,24)(H,22,26)
InChIKeyGLAWKFJXMBHGEO-UHFFFAOYSA-N
XLogP-0.39
TPSA167.35 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.89
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[(4-chlorophenyl)sulfonylcarbamoylamino]-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
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(2S)-2-[(4-chlorophenyl)sulfonylcarbamoylamino]-N-[2-(1H-imidazol-5-yl)ethyl]butanediamide
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CID 2574
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CID 10851318
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]benzamide
CID 65231463
3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 110697872
2-amino-N-(4-chlorophenyl)sulfonylacetamide
CID 23501070
4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231853
(2S)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanamide
CID 101074415
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 46364496
2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 65230866

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-chlorophenyl)sulfonylcarbamoyl]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[(4-chlorophenyl)sulfonylcarbamoyl]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide (CID 101030246) is 2-amino-N-[(4-chlorophenyl)sulfonylcarbamoyl]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[(4-chlorophenyl)sulfonylcarbamoyl]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[(4-chlorophenyl)sulfonylcarbamoyl]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide is NCC(=O)N(CC(=O)NCCc1cnc[nH]1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[(4-chlorophenyl)sulfonylcarbamoyl]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide?
The InChIKey is GLAWKFJXMBHGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O5S/c17-11-1-3-13(4-2-11)29(27,28)22-16(26)23(15(25)7-18)9-14(24)20-6-5-12-8-19-10-21-12/h1-4,8,10H,5-7,9,18H2,(H,19,21)(H,20,24)(H,22,26).
What are the key properties of 2-amino-N-[(4-chlorophenyl)sulfonylcarbamoyl]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide?
2-amino-N-[(4-chlorophenyl)sulfonylcarbamoyl]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide has a molecular weight of 442.89 g/mol, XLogP of -0.39, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-chlorophenyl)sulfonylcarbamoyl]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 101030246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).