N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide

C21H21N3O4S — CID 108540776

IUPACN-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCCNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C21H21N3O4S/c1-29(27,28)24-17-11-9-16(10-12-17)20(25)22-13-14-23-21(26)19-8-4-6-15-5-2-3-7-18(15)19/h2-12,24H,13-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyIAJHYLCGVWRGIV-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.37
Rot. Bonds7

About N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide

N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide (PubChem CID 108540776) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide
PubChem CID108540776
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCCNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C21H21N3O4S/c1-29(27,28)24-17-11-9-16(10-12-17)20(25)22-13-14-23-21(26)19-8-4-6-15-5-2-3-7-18(15)19/h2-12,24H,13-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyIAJHYLCGVWRGIV-UHFFFAOYSA-N
XLogP2.37
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide
CID 108540814
6-methyl-N-[2-(naphthalene-1-carbonylamino)ethyl]pyridine-3-carboxamide
CID 8990934
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 35350648
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-(2-sulfamoylethyl)naphthalene-1-carboxamide
CID 61067529
4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108540785
N-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 108539666
4-(methanesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 41477402
4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108540772
3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 94559214
N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 42064223
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 108572189

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide (CID 108540776) is N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide is CS(=O)(=O)Nc1ccc(C(=O)NCCNC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide?
The InChIKey is IAJHYLCGVWRGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-29(27,28)24-17-11-9-16(10-12-17)20(25)22-13-14-23-21(26)19-8-4-6-15-5-2-3-7-18(15)19/h2-12,24H,13-14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide?
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 108540776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).