N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide

C23H21N3O5S2 — CID 24638867

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C23H21N3O5S2/c1-26(15-21(27)24-14-18-8-4-10-31-18)23(28)19-12-16-6-2-3-7-17(16)13-20(19)25-33(29,30)22-9-5-11-32-22/h2-13,25H,14-15H2,1H3,(H,24,27)
InChIKeyUNRSALVVRRPGPV-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.68
Rot. Bonds8

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide (PubChem CID 24638867) has the molecular formula C23H21N3O5S2 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
PubChem CID24638867
Molecular FormulaC23H21N3O5S2
Molecular Weight483.57 g/mol
Exact Mass483.09
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C23H21N3O5S2/c1-26(15-21(27)24-14-18-8-4-10-31-18)23(28)19-12-16-6-2-3-7-17(16)13-20(19)25-33(29,30)22-9-5-11-32-22/h2-13,25H,14-15H2,1H3,(H,24,27)
InChIKeyUNRSALVVRRPGPV-UHFFFAOYSA-N
XLogP3.68
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(cyclopropanecarbonylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 24638837
N-[(2-methoxyphenyl)methyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 24628494
N-(furan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 38254401
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 24684878
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25038628
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111102
N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide
CID 24665030
N-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 18283850
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
2-(5-chlorothiophen-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 18160155
N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745661

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide (CID 24638867) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide is CN(CC(=O)NCc1ccco1)C(=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
The InChIKey is UNRSALVVRRPGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S2/c1-26(15-21(27)24-14-18-8-4-10-31-18)23(28)19-12-16-6-2-3-7-17(16)13-20(19)25-33(29,30)22-9-5-11-32-22/h2-13,25H,14-15H2,1H3,(H,24,27).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide is sourced from PubChem (CID 24638867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).