3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide

C14H17N3O3S — CID 61209537

IUPAC3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C14H17N3O3S/c1-21(19,20)17-7-6-16-14(18)12-8-10-4-2-3-5-11(10)9-13(12)15/h2-5,8-9,17H,6-7,15H2,1H3,(H,16,18)
InChIKeyNWKUFYGEWQYVED-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.70
Rot. Bonds5

About 3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide

3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide (PubChem CID 61209537) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide
PubChem CID61209537
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C14H17N3O3S/c1-21(19,20)17-7-6-16-14(18)12-8-10-4-2-3-5-11(10)9-13(12)15/h2-5,8-9,17H,6-7,15H2,1H3,(H,16,18)
InChIKeyNWKUFYGEWQYVED-UHFFFAOYSA-N
XLogP0.70
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid
CID 113083556
3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 61209338
2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide
CID 62155328
3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide
CID 114266969
3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide
CID 63957570
3-amino-N-(3-methylsulfinylbutyl)naphthalene-2-carboxamide
CID 115734819
2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 119944537
2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 115540069
3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide
CID 55101985
3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 61209357
3-amino-N-prop-2-enylnaphthalene-2-carboxamide
CID 61207809
3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 104741062

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide (CID 61209537) is 3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide is CS(=O)(=O)NCCNC(=O)c1cc2ccccc2cc1N.
What is the InChIKey of 3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide?
The InChIKey is NWKUFYGEWQYVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-21(19,20)17-7-6-16-14(18)12-8-10-4-2-3-5-11(10)9-13(12)15/h2-5,8-9,17H,6-7,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide?
3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 61209537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).