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

C16H27N3O4S — CID 12790647

IUPACN-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxy-3-methylbenzamide
SMILESCCN(CC)CCNC(=O)c1cc(NS(C)(=O)=O)cc(C)c1OC
InChIInChI=1S/C16H27N3O4S/c1-6-19(7-2)9-8-17-16(20)14-11-13(18-24(5,21)22)10-12(3)15(14)23-4/h10-11,18H,6-9H2,1-5H3,(H,17,20)
InChIKeyAGDCICOKFLFXKX-UHFFFAOYSA-N
MW357.48 g/mol
LogP1.45
Rot. Bonds9

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

N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxy-3-methylbenzamide (PubChem CID 12790647) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxy-3-methylbenzamide
PubChem CID12790647
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC NameN-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxy-3-methylbenzamide
SMILESCCN(CC)CCNC(=O)c1cc(NS(C)(=O)=O)cc(C)c1OC
InChIInChI=1S/C16H27N3O4S/c1-6-19(7-2)9-8-17-16(20)14-11-13(18-24(5,21)22)10-12(3)15(14)23-4/h10-11,18H,6-9H2,1-5H3,(H,17,20)
InChIKeyAGDCICOKFLFXKX-UHFFFAOYSA-N
XLogP1.45
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide
CID 12790645
N-[1-(diethylamino)ethyl]-5-(ethylsulfonylamino)-2-methoxy-3-methylbenzamide
CID 20561651
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349
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
N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride
CID 53439298
ethyl 5-(methanesulfonamido)-2-methylbenzoate
CID 59066715
2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide
CID 12883877
N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide
CID 96661449
2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
CID 142825813
5-chloro-N-[2-(diethylamino)ethyl]-2-methyl-4-(naphthalen-1-ylsulfonylamino)benzamide
CID 21133017
3-[2-[2-[bis[2-[(5-bromo-3-carboxy-2-methoxybenzoyl)amino]ethyl]amino]ethyl-[2-[(5-bromo-3-carboxy-2-methoxybenzoyl)amino]ethyl]amino]ethylcarbamoyl]-5-bromo-2-methoxybenzoic acid
CID 147134660

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxy-3-methylbenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxy-3-methylbenzamide (CID 12790647) is N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxy-3-methylbenzamide is CCN(CC)CCNC(=O)c1cc(NS(C)(=O)=O)cc(C)c1OC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxy-3-methylbenzamide?
The InChIKey is AGDCICOKFLFXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-6-19(7-2)9-8-17-16(20)14-11-13(18-24(5,21)22)10-12(3)15(14)23-4/h10-11,18H,6-9H2,1-5H3,(H,17,20).
What are the key properties of N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxy-3-methylbenzamide?
N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxy-3-methylbenzamide has a molecular weight of 357.48 g/mol, XLogP of 1.45, 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-methoxy-3-methylbenzamide is sourced from PubChem (CID 12790647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).