N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide

C16H18ClN3O4S2 — CID 38204108

IUPACN-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide
SMILESCN(CC(=O)NCCNC(=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H18ClN3O4S2/c1-20(26(23,24)15-8-7-13(17)25-15)11-14(21)18-9-10-19-16(22)12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyLABCXFIBNCZDBB-UHFFFAOYSA-N
MW415.92 g/mol
LogP1.57
Rot. Bonds8

About N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide

N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide (PubChem CID 38204108) has the molecular formula C16H18ClN3O4S2 and a molecular weight of 415.92 g/mol. Its IUPAC name is N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide
PubChem CID38204108
Molecular FormulaC16H18ClN3O4S2
Molecular Weight415.92 g/mol
Exact Mass415.04
IUPAC NameN-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide
SMILESCN(CC(=O)NCCNC(=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H18ClN3O4S2/c1-20(26(23,24)15-8-7-13(17)25-15)11-14(21)18-9-10-19-16(22)12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyLABCXFIBNCZDBB-UHFFFAOYSA-N
XLogP1.57
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 38253630
N-[3-[benzyl(methyl)amino]propyl]-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 46532542
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide
CID 55656231
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-prop-2-enylacetamide
CID 9442232
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide
CID 51158900
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 38503362
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 55750268
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide
CID 31852144
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide
CID 78857238
N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 9412118
benzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 7804745
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9341591

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide (CID 38204108) is N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide is CN(CC(=O)NCCNC(=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide?
The InChIKey is LABCXFIBNCZDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S2/c1-20(26(23,24)15-8-7-13(17)25-15)11-14(21)18-9-10-19-16(22)12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide?
N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide has a molecular weight of 415.92 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 38204108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).