2-[carbamimidoyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide

C11H17N5O3S — CID 10637879

IUPAC2-[carbamimidoyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILES[H]/N=C(\N)N(C)CC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17N5O3S/c1-16(11(12)13)7-10(17)15-6-8-2-4-9(5-3-8)20(14,18)19/h2-5H,6-7H2,1H3,(H3,12,13)(H,15,17)(H2,14,18,19)
InChIKeyDAPNTAAOHWTXCR-UHFFFAOYSA-N
MW299.36 g/mol
LogP-1.22
Rot. Bonds5

About 2-[carbamimidoyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide

2-[carbamimidoyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 10637879) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[carbamimidoyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[carbamimidoyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID10637879
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC Name2-[carbamimidoyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILES[H]/N=C(\N)N(C)CC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17N5O3S/c1-16(11(12)13)7-10(17)15-6-8-2-4-9(5-3-8)20(14,18)19/h2-5H,6-7H2,1H3,(H3,12,13)(H,15,17)(H2,14,18,19)
InChIKeyDAPNTAAOHWTXCR-UHFFFAOYSA-N
XLogP-1.22
TPSA142.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28561266
2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]ethyl-(carboxymethyl)amino]acetic acid
CID 101102313
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108795325
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
2-amino-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]acetamide
CID 10756624
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
2-(1,3-benzodioxol-5-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 110767399
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 46808314
3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60703250
N-[(4-sulfamoylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 17419772

Frequently Asked Questions

What is the IUPAC name of 2-[carbamimidoyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-[carbamimidoyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 10637879) is 2-[carbamimidoyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[carbamimidoyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-[carbamimidoyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide is [H]/N=C(\N)N(C)CC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[carbamimidoyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is DAPNTAAOHWTXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3S/c1-16(11(12)13)7-10(17)15-6-8-2-4-9(5-3-8)20(14,18)19/h2-5H,6-7H2,1H3,(H3,12,13)(H,15,17)(H2,14,18,19).
What are the key properties of 2-[carbamimidoyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-[carbamimidoyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 299.36 g/mol, XLogP of -1.22, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamimidoyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 10637879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).