N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide

C18H22N4O3S — CID 35388894

IUPACN-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C18H22N4O3S/c1-14(23)21-16-5-7-17(8-6-16)26(24,25)20-13-15-4-9-18(19-12-15)22-10-2-3-11-22/h4-9,12,20H,2-3,10-11,13H2,1H3,(H,21,23)
InChIKeyWAXSHXAYPIJCMF-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.12
Rot. Bonds6

About N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide

N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide (PubChem CID 35388894) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
PubChem CID35388894
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C18H22N4O3S/c1-14(23)21-16-5-7-17(8-6-16)26(24,25)20-13-15-4-9-18(19-12-15)22-10-2-3-11-22/h4-9,12,20H,2-3,10-11,13H2,1H3,(H,21,23)
InChIKeyWAXSHXAYPIJCMF-UHFFFAOYSA-N
XLogP2.12
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
CID 55598687
N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113015969
N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide
CID 26531816
3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35388850
2,3-dichloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35389010
methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate
CID 25469683
3-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzene-1,3-disulfonamide
CID 55913757
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 55703524
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35388805
3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 55735225
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide (CID 35388894) is N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)cc1.
What is the InChIKey of N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is WAXSHXAYPIJCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-14(23)21-16-5-7-17(8-6-16)26(24,25)20-13-15-4-9-18(19-12-15)22-10-2-3-11-22/h4-9,12,20H,2-3,10-11,13H2,1H3,(H,21,23).
What are the key properties of N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide?
N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 374.47 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 35388894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).