2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide

C20H18ClN3O4S2 — CID 55659204

IUPAC2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H18ClN3O4S2/c21-17-5-2-1-4-16(17)20(26)23-12-11-22-19(25)14-7-9-15(10-8-14)24-30(27,28)18-6-3-13-29-18/h1-10,13,24H,11-12H2,(H,22,25)(H,23,26)
InChIKeyFUOAQSXLQNLLPF-UHFFFAOYSA-N
MW463.97 g/mol
LogP3.36
Rot. Bonds8

About 2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide

2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide (PubChem CID 55659204) has the molecular formula C20H18ClN3O4S2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide
PubChem CID55659204
Molecular FormulaC20H18ClN3O4S2
Molecular Weight463.97 g/mol
Exact Mass463.04
IUPAC Name2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H18ClN3O4S2/c21-17-5-2-1-4-16(17)20(26)23-12-11-22-19(25)14-7-9-15(10-8-14)24-30(27,28)18-6-3-13-29-18/h1-10,13,24H,11-12H2,(H,22,25)(H,23,26)
InChIKeyFUOAQSXLQNLLPF-UHFFFAOYSA-N
XLogP3.36
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18150972
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
2-chloro-N-thiophen-2-ylsulfonylbenzamide
CID 975839
N-[[4-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55842432
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
N-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 30944474
2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide
CID 108571250
N-[[4-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37316745
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24680132
N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18206532
N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55727615

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide (CID 55659204) is 2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide is O=C(NCCNC(=O)c1ccccc1Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide?
The InChIKey is FUOAQSXLQNLLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4S2/c21-17-5-2-1-4-16(17)20(26)23-12-11-22-19(25)14-7-9-15(10-8-14)24-30(27,28)18-6-3-13-29-18/h1-10,13,24H,11-12H2,(H,22,25)(H,23,26).
What are the key properties of 2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide?
2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide has a molecular weight of 463.97 g/mol, XLogP of 3.36, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 55659204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).