N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfinamoylphenyl)benzoyl]amino]thiophene-2-carboxamide

C23H17ClN4O3S2 — CID 18728141

IUPACN-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfinamoylphenyl)benzoyl]amino]thiophene-2-carboxamide
SMILESNS(=O)c1ccccc1-c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C23H17ClN4O3S2/c24-16-9-10-20(26-13-16)28-23(30)21-18(11-12-32-21)27-22(29)15-7-5-14(6-8-15)17-3-1-2-4-19(17)33(25)31/h1-13H,25H2,(H,27,29)(H,26,28,30)
InChIKeyISSXSWZJTFVOHN-UHFFFAOYSA-N
MW497.00 g/mol
LogP4.95
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfinamoylphenyl)benzoyl]amino]thiophene-2-carboxamide

N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfinamoylphenyl)benzoyl]amino]thiophene-2-carboxamide (PubChem CID 18728141) has the molecular formula C23H17ClN4O3S2 and a molecular weight of 497.00 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfinamoylphenyl)benzoyl]amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfinamoylphenyl)benzoyl]amino]thiophene-2-carboxamide
PubChem CID18728141
Molecular FormulaC23H17ClN4O3S2
Molecular Weight497.00 g/mol
Exact Mass496.04
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfinamoylphenyl)benzoyl]amino]thiophene-2-carboxamide
SMILESNS(=O)c1ccccc1-c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C23H17ClN4O3S2/c24-16-9-10-20(26-13-16)28-23(30)21-18(11-12-32-21)27-22(29)15-7-5-14(6-8-15)17-3-1-2-4-19(17)33(25)31/h1-13H,25H2,(H,27,29)(H,26,28,30)
InChIKeyISSXSWZJTFVOHN-UHFFFAOYSA-N
XLogP4.95
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.00
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 22596412
N-(5-chloro-2-pyridinyl)-3-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide
CID 70066035
3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 61094139
N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide
CID 90885243
N-[[2-[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]phenyl]-methylidene-oxo-λ6-sulfanyl]pyridine-4-carboxamide
CID 90767981
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]benzamide
CID 18727842
2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 160614519
N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide
CID 59089747
3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 63800911
3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 58772723
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[[(2-methoxyacetyl)amino]-methylidene-oxo-λ6-sulfanyl]phenyl]benzoyl]amino]benzamide
CID 91540911
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 10162145

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfinamoylphenyl)benzoyl]amino]thiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfinamoylphenyl)benzoyl]amino]thiophene-2-carboxamide (CID 18728141) is N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfinamoylphenyl)benzoyl]amino]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfinamoylphenyl)benzoyl]amino]thiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfinamoylphenyl)benzoyl]amino]thiophene-2-carboxamide is NS(=O)c1ccccc1-c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfinamoylphenyl)benzoyl]amino]thiophene-2-carboxamide?
The InChIKey is ISSXSWZJTFVOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O3S2/c24-16-9-10-20(26-13-16)28-23(30)21-18(11-12-32-21)27-22(29)15-7-5-14(6-8-15)17-3-1-2-4-19(17)33(25)31/h1-13H,25H2,(H,27,29)(H,26,28,30).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfinamoylphenyl)benzoyl]amino]thiophene-2-carboxamide?
N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfinamoylphenyl)benzoyl]amino]thiophene-2-carboxamide has a molecular weight of 497.00 g/mol, XLogP of 4.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfinamoylphenyl)benzoyl]amino]thiophene-2-carboxamide is sourced from PubChem (CID 18728141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).