2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride

C13H20ClN3O3S — CID 119701886

IUPAC2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride
SMILESCl.NS(=O)(=O)Cc1ccc(NC(=O)CNCC2CC2)cc1
InChIInChI=1S/C13H19N3O3S.ClH/c14-20(18,19)9-11-3-5-12(6-4-11)16-13(17)8-15-7-10-1-2-10;/h3-6,10,15H,1-2,7-9H2,(H,16,17)(H2,14,18,19);1H
InChIKeyDPZUCBVWQIDRFR-UHFFFAOYSA-N
MW333.84 g/mol
LogP0.83
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride (PubChem CID 119701886) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride
PubChem CID119701886
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride
SMILESCl.NS(=O)(=O)Cc1ccc(NC(=O)CNCC2CC2)cc1
InChIInChI=1S/C13H19N3O3S.ClH/c14-20(18,19)9-11-3-5-12(6-4-11)16-13(17)8-15-7-10-1-2-10;/h3-6,10,15H,1-2,7-9H2,(H,16,17)(H2,14,18,19);1H
InChIKeyDPZUCBVWQIDRFR-UHFFFAOYSA-N
XLogP0.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119672411
[4-(cyclopropylmethylamino)phenyl]methanesulfonamide
CID 43745277
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700150
2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride
CID 119769599
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride
CID 119711546
2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119694268
N-(4-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133833
2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 60867627
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119752578

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride (CID 119701886) is 2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride is Cl.NS(=O)(=O)Cc1ccc(NC(=O)CNCC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride?
The InChIKey is DPZUCBVWQIDRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S.ClH/c14-20(18,19)9-11-3-5-12(6-4-11)16-13(17)8-15-7-10-1-2-10;/h3-6,10,15H,1-2,7-9H2,(H,16,17)(H2,14,18,19);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride has a molecular weight of 333.84 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119701886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).