N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide

C15H25N3O4S — CID 12790645

IUPACN-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide
SMILESCCN(CC)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1OC
InChIInChI=1S/C15H25N3O4S/c1-5-18(6-2)10-9-16-15(19)13-11-12(17-23(4,20)21)7-8-14(13)22-3/h7-8,11,17H,5-6,9-10H2,1-4H3,(H,16,19)
InChIKeyMVVAZYQWECDMBN-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.14
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide

N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide (PubChem CID 12790645) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide
PubChem CID12790645
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC NameN-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide
SMILESCCN(CC)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1OC
InChIInChI=1S/C15H25N3O4S/c1-5-18(6-2)10-9-16-15(19)13-11-12(17-23(4,20)21)7-8-14(13)22-3/h7-8,11,17H,5-6,9-10H2,1-4H3,(H,16,19)
InChIKeyMVVAZYQWECDMBN-UHFFFAOYSA-N
XLogP1.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxy-3-methylbenzamide
CID 12790647
N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxybenzoyl)amino]-2-methoxybenzamide
CID 66934739
N-(3-acetyl-4-methoxyphenyl)methanesulfonamide
CID 18615187
5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide
CID 19257901
N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 3585915
N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide
CID 142817541
5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide
CID 110612673
2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide
CID 12883877
N-[2-[ethyl(methyl)amino]ethyl]-2-methoxy-5-methylsulfonylbenzamide;nitric acid
CID 72950545
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887
N-[2-[ethyl-[2-[4-(methanesulfonamido)phenyl]ethyl]amino]ethyl]-4-(methanesulfonamido)benzamide
CID 67936156

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide (CID 12790645) is N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide is CCN(CC)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1OC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide?
The InChIKey is MVVAZYQWECDMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-5-18(6-2)10-9-16-15(19)13-11-12(17-23(4,20)21)7-8-14(13)22-3/h7-8,11,17H,5-6,9-10H2,1-4H3,(H,16,19).
What are the key properties of N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide?
N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide has a molecular weight of 343.45 g/mol, XLogP of 1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide is sourced from PubChem (CID 12790645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).