N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide

C23H20N2O3S2 — CID 16624392

IUPACN-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccccc3cc2NS(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C23H20N2O3S2/c1-15-7-5-10-20(16(15)2)24-23(26)19-13-17-8-3-4-9-18(17)14-21(19)25-30(27,28)22-11-6-12-29-22/h3-14,25H,1-2H3,(H,24,26)
InChIKeyLNRBUOCNMVIOEJ-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.57
Rot. Bonds5

About N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide

N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide (PubChem CID 16624392) has the molecular formula C23H20N2O3S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
PubChem CID16624392
Molecular FormulaC23H20N2O3S2
Molecular Weight436.56 g/mol
Exact Mass436.09
IUPAC NameN-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccccc3cc2NS(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C23H20N2O3S2/c1-15-7-5-10-20(16(15)2)24-23(26)19-13-17-8-3-4-9-18(17)14-21(19)25-30(27,28)22-11-6-12-29-22/h3-14,25H,1-2H3,(H,24,26)
InChIKeyLNRBUOCNMVIOEJ-UHFFFAOYSA-N
XLogP5.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 24628378
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786528
N-pyridin-2-yl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 18271825
N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide
CID 24665030
N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide
CID 24664130
N-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 18283850
N-(2-pyridin-2-ylethyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 24628570
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 24628740
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2359647
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
N-[(2-methoxyphenyl)methyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 24628494
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide (CID 16624392) is N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide is Cc1cccc(NC(=O)c2cc3ccccc3cc2NS(=O)(=O)c2cccs2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
The InChIKey is LNRBUOCNMVIOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S2/c1-15-7-5-10-20(16(15)2)24-23(26)19-13-17-8-3-4-9-18(17)14-21(19)25-30(27,28)22-11-6-12-29-22/h3-14,25H,1-2H3,(H,24,26).
What are the key properties of N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide is sourced from PubChem (CID 16624392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).