N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide

C20H25N3O3S — CID 26531816

IUPACN-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3)cc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16(24)22-19-8-10-20(11-9-19)27(25,26)21-14-17-4-6-18(7-5-17)15-23-12-2-3-13-23/h4-11,21H,2-3,12-15H2,1H3,(H,22,24)
InChIKeyHQVLSMJKGRTCHP-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.72
Rot. Bonds7

About N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide

N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide (PubChem CID 26531816) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide
PubChem CID26531816
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3)cc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16(24)22-19-8-10-20(11-9-19)27(25,26)21-14-17-4-6-18(7-5-17)15-23-12-2-3-13-23/h4-11,21H,2-3,12-15H2,1H3,(H,22,24)
InChIKeyHQVLSMJKGRTCHP-UHFFFAOYSA-N
XLogP2.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 18096857
N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
CID 71050440
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide
CID 108782317
N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
CID 35388894
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
[4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191327
N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide
CID 9031624
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
N-[4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]prop-2-enamide
CID 52939281
N-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide
CID 56537927

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide (CID 26531816) is N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3)cc2)cc1.
What is the InChIKey of N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide?
The InChIKey is HQVLSMJKGRTCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16(24)22-19-8-10-20(11-9-19)27(25,26)21-14-17-4-6-18(7-5-17)15-23-12-2-3-13-23/h4-11,21H,2-3,12-15H2,1H3,(H,22,24).
What are the key properties of N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide?
N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 26531816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).