N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide

C24H21N3O5S2 — CID 24664130

IUPACN-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide
SMILESCc1cccc(OCC(=O)NNC(=O)c2cc3ccccc3cc2NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C24H21N3O5S2/c1-16-6-4-9-19(12-16)32-15-22(28)25-26-24(29)20-13-17-7-2-3-8-18(17)14-21(20)27-34(30,31)23-10-5-11-33-23/h2-14,27H,15H2,1H3,(H,25,28)(H,26,29)
InChIKeyAKOPTNHLSBQGFC-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.85
Rot. Bonds7

About N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide

N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide (PubChem CID 24664130) has the molecular formula C24H21N3O5S2 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide
PubChem CID24664130
Molecular FormulaC24H21N3O5S2
Molecular Weight495.58 g/mol
Exact Mass495.09
IUPAC NameN-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide
SMILESCc1cccc(OCC(=O)NNC(=O)c2cc3ccccc3cc2NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C24H21N3O5S2/c1-16-6-4-9-19(12-16)32-15-22(28)25-26-24(29)20-13-17-7-2-3-8-18(17)14-21(20)27-34(30,31)23-10-5-11-33-23/h2-14,27H,15H2,1H3,(H,25,28)(H,26,29)
InChIKeyAKOPTNHLSBQGFC-UHFFFAOYSA-N
XLogP3.85
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[(2-naphthalen-2-yloxyacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698715
N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide
CID 24665030
3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 27567090
N-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 18283850
N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]cyclopropanecarboxamide
CID 55429366
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 16624392
N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 30156853
N-pyridin-2-yl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 18271825
N-(2-pyridin-2-ylethyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 24628570
N-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 55350821
2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51193302
N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 26248424

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide (CID 24664130) is N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide is Cc1cccc(OCC(=O)NNC(=O)c2cc3ccccc3cc2NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide?
The InChIKey is AKOPTNHLSBQGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S2/c1-16-6-4-9-19(12-16)32-15-22(28)25-26-24(29)20-13-17-7-2-3-8-18(17)14-21(20)27-34(30,31)23-10-5-11-33-23/h2-14,27H,15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide?
N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide has a molecular weight of 495.58 g/mol, XLogP of 3.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 24664130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).