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

C22H18N2O4S2 — CID 18283850

IUPACN-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
SMILESO=C(NOCc1ccccc1)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C22H18N2O4S2/c25-22(23-28-15-16-7-2-1-3-8-16)19-13-17-9-4-5-10-18(17)14-20(19)24-30(26,27)21-11-6-12-29-21/h1-14,24H,15H2,(H,23,25)
InChIKeyKJNQCPZMLNGMSY-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.56
Rot. Bonds7

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

N-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide (PubChem CID 18283850) has the molecular formula C22H18N2O4S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
PubChem CID18283850
Molecular FormulaC22H18N2O4S2
Molecular Weight438.53 g/mol
Exact Mass438.07
IUPAC NameN-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
SMILESO=C(NOCc1ccccc1)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C22H18N2O4S2/c25-22(23-28-15-16-7-2-1-3-8-16)19-13-17-9-4-5-10-18(17)14-20(19)24-30(26,27)21-11-6-12-29-21/h1-14,24H,15H2,(H,23,25)
InChIKeyKJNQCPZMLNGMSY-UHFFFAOYSA-N
XLogP4.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide
CID 24665030
N-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 24628378
N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide
CID 24664130
N-pyridin-2-yl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 18271825
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 16624392
N-(2-pyridin-2-ylethyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 24628570
N-[2-[[(2-naphthalen-2-yloxyacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698715
N-[(2-methoxyphenyl)methyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 24628494
N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 26248424
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 24628740
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16595121

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
The IUPAC name of N-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide (CID 18283850) is N-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide.
What is the SMILES notation for N-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
The canonical SMILES for N-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide is O=C(NOCc1ccccc1)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
The InChIKey is KJNQCPZMLNGMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S2/c25-22(23-28-15-16-7-2-1-3-8-16)19-13-17-9-4-5-10-18(17)14-20(19)24-30(26,27)21-11-6-12-29-21/h1-14,24H,15H2,(H,23,25).
What are the key properties of N-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
N-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide is sourced from PubChem (CID 18283850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).