N-[1-(diethylamino)ethyl]-5-(ethylsulfonylamino)-2-methoxy-3-methylbenzamide

C17H29N3O4S — CID 20561651

IUPACN-[1-(diethylamino)ethyl]-5-(ethylsulfonylamino)-2-methoxy-3-methylbenzamide
SMILESCCN(CC)C(C)NC(=O)c1cc(NS(=O)(=O)CC)cc(C)c1OC
InChIInChI=1S/C17H29N3O4S/c1-7-20(8-2)13(5)18-17(21)15-11-14(19-25(22,23)9-3)10-12(4)16(15)24-6/h10-11,13,19H,7-9H2,1-6H3,(H,18,21)
InChIKeyLESVHXHVDXQNTC-UHFFFAOYSA-N
MW371.50 g/mol
LogP2.18
Rot. Bonds9

About N-[1-(diethylamino)ethyl]-5-(ethylsulfonylamino)-2-methoxy-3-methylbenzamide

N-[1-(diethylamino)ethyl]-5-(ethylsulfonylamino)-2-methoxy-3-methylbenzamide (PubChem CID 20561651) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is N-[1-(diethylamino)ethyl]-5-(ethylsulfonylamino)-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(diethylamino)ethyl]-5-(ethylsulfonylamino)-2-methoxy-3-methylbenzamide
PubChem CID20561651
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC NameN-[1-(diethylamino)ethyl]-5-(ethylsulfonylamino)-2-methoxy-3-methylbenzamide
SMILESCCN(CC)C(C)NC(=O)c1cc(NS(=O)(=O)CC)cc(C)c1OC
InChIInChI=1S/C17H29N3O4S/c1-7-20(8-2)13(5)18-17(21)15-11-14(19-25(22,23)9-3)10-12(4)16(15)24-6/h10-11,13,19H,7-9H2,1-6H3,(H,18,21)
InChIKeyLESVHXHVDXQNTC-UHFFFAOYSA-N
XLogP2.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 52.18
H-Bond Donors ≤ 52
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

5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide
CID 20561656
N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxy-3-methylbenzamide
CID 12790647
N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide
CID 23064668
5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide
CID 110762952
5-bromo-N-[1-(diethylamino)ethyl]-2,3-dimethoxy-6-nitrobenzamide;hydrochloride
CID 88514289
2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide
CID 115186393
methyl 2-bromo-4-(ethylsulfonylamino)benzoate
CID 172609678
4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 94027949
N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide
CID 115271616
N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide
CID 24671977
methyl 2-[4-(ethylsulfonylamino)anilino]propanoate
CID 66171933
(2S,3S)-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-3-methylpentanoic acid
CID 120686080

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)ethyl]-5-(ethylsulfonylamino)-2-methoxy-3-methylbenzamide?
The IUPAC name of N-[1-(diethylamino)ethyl]-5-(ethylsulfonylamino)-2-methoxy-3-methylbenzamide (CID 20561651) is N-[1-(diethylamino)ethyl]-5-(ethylsulfonylamino)-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-[1-(diethylamino)ethyl]-5-(ethylsulfonylamino)-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-[1-(diethylamino)ethyl]-5-(ethylsulfonylamino)-2-methoxy-3-methylbenzamide is CCN(CC)C(C)NC(=O)c1cc(NS(=O)(=O)CC)cc(C)c1OC.
What is the InChIKey of N-[1-(diethylamino)ethyl]-5-(ethylsulfonylamino)-2-methoxy-3-methylbenzamide?
The InChIKey is LESVHXHVDXQNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4S/c1-7-20(8-2)13(5)18-17(21)15-11-14(19-25(22,23)9-3)10-12(4)16(15)24-6/h10-11,13,19H,7-9H2,1-6H3,(H,18,21).
What are the key properties of N-[1-(diethylamino)ethyl]-5-(ethylsulfonylamino)-2-methoxy-3-methylbenzamide?
N-[1-(diethylamino)ethyl]-5-(ethylsulfonylamino)-2-methoxy-3-methylbenzamide has a molecular weight of 371.50 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)ethyl]-5-(ethylsulfonylamino)-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 20561651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).