N-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide

C22H18N2O4S2 — CID 24628378

IUPACN-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccccc3cc2NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C22H18N2O4S2/c1-28-18-9-4-8-17(14-18)23-22(25)19-12-15-6-2-3-7-16(15)13-20(19)24-30(26,27)21-10-5-11-29-21/h2-14,24H,1H3,(H,23,25)
InChIKeyDVTNZCLUDRFNFJ-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.96
Rot. Bonds6

About N-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide

N-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide (PubChem CID 24628378) has the molecular formula C22H18N2O4S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
PubChem CID24628378
Molecular FormulaC22H18N2O4S2
Molecular Weight438.53 g/mol
Exact Mass438.07
IUPAC NameN-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccccc3cc2NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C22H18N2O4S2/c1-28-18-9-4-8-17(14-18)23-22(25)19-12-15-6-2-3-7-16(15)13-20(19)24-30(26,27)21-10-5-11-29-21/h2-14,24H,1H3,(H,23,25)
InChIKeyDVTNZCLUDRFNFJ-UHFFFAOYSA-N
XLogP4.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 16624392
N-pyridin-2-yl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 18271825
1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea
CID 95560374
N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide
CID 24665030
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2402847
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-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
N-[(2-methoxyphenyl)methyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 24628494
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113048262
N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309402
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide (CID 24628378) is N-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide is COc1cccc(NC(=O)c2cc3ccccc3cc2NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
The InChIKey is DVTNZCLUDRFNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S2/c1-28-18-9-4-8-17(14-18)23-22(25)19-12-15-6-2-3-7-16(15)13-20(19)24-30(26,27)21-10-5-11-29-21/h2-14,24H,1H3,(H,23,25).
What are the key properties of N-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
N-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide is sourced from PubChem (CID 24628378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).