N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide

C16H25N3O4S — CID 3051971

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide
SMILESCCN1CCCC1CNC(=O)c1cc(NS(C)(=O)=O)ccc1OC
InChIInChI=1S/C16H25N3O4S/c1-4-19-9-5-6-13(19)11-17-16(20)14-10-12(18-24(3,21)22)7-8-15(14)23-2/h7-8,10,13,18H,4-6,9,11H2,1-3H3,(H,17,20)
InChIKeySCWBHWCAKIVLQO-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.28
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide (PubChem CID 3051971) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide
PubChem CID3051971
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide
SMILESCCN1CCCC1CNC(=O)c1cc(NS(C)(=O)=O)ccc1OC
InChIInChI=1S/C16H25N3O4S/c1-4-19-9-5-6-13(19)11-17-16(20)14-10-12(18-24(3,21)22)7-8-15(14)23-2/h7-8,10,13,18H,4-6,9,11H2,1-3H3,(H,17,20)
InChIKeySCWBHWCAKIVLQO-UHFFFAOYSA-N
XLogP1.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide (CID 3051971) is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide is CCN1CCCC1CNC(=O)c1cc(NS(C)(=O)=O)ccc1OC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide?
The InChIKey is SCWBHWCAKIVLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-4-19-9-5-6-13(19)11-17-16(20)14-10-12(18-24(3,21)22)7-8-15(14)23-2/h7-8,10,13,18H,4-6,9,11H2,1-3H3,(H,17,20).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide has a molecular weight of 355.46 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide is sourced from PubChem (CID 3051971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).