N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide

C15H24N2O4S — CID 23064668

IUPACN-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide
SMILESCCN(CC)C(C)NC(=O)c1cc(OC)ccc1S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-6-17(7-2)11(3)16-15(18)13-10-12(21-4)8-9-14(13)22(5,19)20/h8-11H,6-7H2,1-5H3,(H,16,18)
InChIKeyKXPFBBVRJQQLGR-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.52
Rot. Bonds7

About N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide

N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide (PubChem CID 23064668) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide
PubChem CID23064668
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide
SMILESCCN(CC)C(C)NC(=O)c1cc(OC)ccc1S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-6-17(7-2)11(3)16-15(18)13-10-12(21-4)8-9-14(13)22(5,19)20/h8-11H,6-7H2,1-5H3,(H,16,18)
InChIKeyKXPFBBVRJQQLGR-UHFFFAOYSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-butoxyethyl]-5-methoxy-N-methylsulfonylbenzamide
CID 177492476
2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide
CID 115412619
5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide
CID 20561656
(2S)-2-[(2-hydroxy-5-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 61174665
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
N-[1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]propanamide
CID 21035273
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
N-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide
CID 112510921
2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
CID 43357821
2-[(2,5-dimethoxybenzoyl)amino]butanoic acid
CID 43387399
methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate
CID 54959759
2-iodo-4-methoxy-1-methylsulfonylbenzene
CID 122362550

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide?
The IUPAC name of N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide (CID 23064668) is N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide?
The canonical SMILES for N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide is CCN(CC)C(C)NC(=O)c1cc(OC)ccc1S(C)(=O)=O.
What is the InChIKey of N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide?
The InChIKey is KXPFBBVRJQQLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-6-17(7-2)11(3)16-15(18)13-10-12(21-4)8-9-14(13)22(5,19)20/h8-11H,6-7H2,1-5H3,(H,16,18).
What are the key properties of N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide?
N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide has a molecular weight of 328.43 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide is sourced from PubChem (CID 23064668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).