N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide

C11H16N2O4S — CID 40718415

IUPACN-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCNS(C)(=O)=O)c1
InChIInChI=1S/C11H16N2O4S/c1-17-10-5-3-4-9(8-10)11(14)12-6-7-13-18(2,15)16/h3-5,8,13H,6-7H2,1-2H3,(H,12,14)
InChIKeyVPXOGTQOLUJGMB-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.03
Rot. Bonds6

About N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide

N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide (PubChem CID 40718415) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
PubChem CID40718415
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC NameN-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCNS(C)(=O)=O)c1
InChIInChI=1S/C11H16N2O4S/c1-17-10-5-3-4-9(8-10)11(14)12-6-7-13-18(2,15)16/h3-5,8,13H,6-7H2,1-2H3,(H,12,14)
InChIKeyVPXOGTQOLUJGMB-UHFFFAOYSA-N
XLogP-0.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
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-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide
CID 35325375
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064974
3-carbamothioyl-N-[2-(methanesulfonamido)ethyl]benzamide
CID 43546221
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium
CID 7618004
N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide
CID 110602661
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide (CID 40718415) is N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCNS(C)(=O)=O)c1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide?
The InChIKey is VPXOGTQOLUJGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-17-10-5-3-4-9(8-10)11(14)12-6-7-13-18(2,15)16/h3-5,8,13H,6-7H2,1-2H3,(H,12,14).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide?
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide has a molecular weight of 272.33 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 40718415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).