N-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide

C19H14Cl2N2O2S2 — CID 18906203

IUPACN-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESO=C(CSc1cccc(NC(=O)c2cccs2)c1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H14Cl2N2O2S2/c20-12-7-13(21)9-15(8-12)22-18(24)11-27-16-4-1-3-14(10-16)23-19(25)17-5-2-6-26-17/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKeyMJSLPGHICRRIBJ-UHFFFAOYSA-N
MW437.37 g/mol
LogP6.04
Rot. Bonds6

About N-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide

N-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide (PubChem CID 18906203) has the molecular formula C19H14Cl2N2O2S2 and a molecular weight of 437.37 g/mol. Its IUPAC name is N-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
PubChem CID18906203
Molecular FormulaC19H14Cl2N2O2S2
Molecular Weight437.37 g/mol
Exact Mass435.99
IUPAC NameN-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESO=C(CSc1cccc(NC(=O)c2cccs2)c1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H14Cl2N2O2S2/c20-12-7-13(21)9-15(8-12)22-18(24)11-27-16-4-1-3-14(10-16)23-19(25)17-5-2-6-26-17/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKeyMJSLPGHICRRIBJ-UHFFFAOYSA-N
XLogP6.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.37
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298764
N-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906207
N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298761
N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298769
N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide
CID 31516052
N-[3-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906235
N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18911138
N-[3-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907057
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19631271
N-[(E)-3-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylanilino]-1-(2,4-dichlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19306836
N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22775651
N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22778473

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide (CID 18906203) is N-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide is O=C(CSc1cccc(NC(=O)c2cccs2)c1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
The InChIKey is MJSLPGHICRRIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2S2/c20-12-7-13(21)9-15(8-12)22-18(24)11-27-16-4-1-3-14(10-16)23-19(25)17-5-2-6-26-17/h1-10H,11H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
N-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide has a molecular weight of 437.37 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18906203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).