4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride

C16H26ClN3O4S — CID 120831442

IUPAC4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-12(17-2)11-18-16(20)13-6-7-14(23-3)15(10-13)24(21,22)19-8-4-5-9-19;/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3,(H,18,20);1H
InChIKeySNQMDICSOLBIPT-UHFFFAOYSA-N
MW391.92 g/mol
LogP1.24
Rot. Bonds7

About 4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride

4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride (PubChem CID 120831442) has the molecular formula C16H26ClN3O4S and a molecular weight of 391.92 g/mol. Its IUPAC name is 4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
PubChem CID120831442
Molecular FormulaC16H26ClN3O4S
Molecular Weight391.92 g/mol
Exact Mass391.13
IUPAC Name4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-12(17-2)11-18-16(20)13-6-7-14(23-3)15(10-13)24(21,22)19-8-4-5-9-19;/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3,(H,18,20);1H
InChIKeySNQMDICSOLBIPT-UHFFFAOYSA-N
XLogP1.24
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-cyanopropyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 95765010
4-methoxy-N-(7-methyloctyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 36618425
propan-2-yl 2-[[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]amino]acetate
CID 56536517
4-methoxy-N-[(2S)-1-piperidin-1-ylpropan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 35121300
4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742279
N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892154
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107
4-methoxy-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2694604
4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261543
3-(azepan-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 18145727
3-(azepan-1-ylsulfonyl)-N,4-dimethoxybenzamide
CID 33100558
4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 119462339

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride (CID 120831442) is 4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride is CNC(C)CNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1.Cl.
What is the InChIKey of 4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride?
The InChIKey is SNQMDICSOLBIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S.ClH/c1-12(17-2)11-18-16(20)13-6-7-14(23-3)15(10-13)24(21,22)19-8-4-5-9-19;/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3,(H,18,20);1H.
What are the key properties of 4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride?
4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 120831442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).