N-[3-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide

C16H21N5O4S — CID 55619889

IUPACN-[3-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
SMILESCOc1ccnc(NNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H21N5O4S/c1-11-4-5-13(10-12(11)2)26(23,24)18-9-6-14(22)20-21-16-17-8-7-15(19-16)25-3/h4-5,7-8,10,18H,6,9H2,1-3H3,(H,20,22)(H,17,19,21)
InChIKeyBSTCOEPWHYIAHE-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.91
Rot. Bonds8

About N-[3-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide

N-[3-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 55619889) has the molecular formula C16H21N5O4S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[3-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
PubChem CID55619889
Molecular FormulaC16H21N5O4S
Molecular Weight379.44 g/mol
Exact Mass379.13
IUPAC NameN-[3-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
SMILESCOc1ccnc(NNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H21N5O4S/c1-11-4-5-13(10-12(11)2)26(23,24)18-9-6-14(22)20-21-16-17-8-7-15(19-16)25-3/h4-5,7-8,10,18H,6,9H2,1-3H3,(H,20,22)(H,17,19,21)
InChIKeyBSTCOEPWHYIAHE-UHFFFAOYSA-N
XLogP0.91
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(4-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 2090650
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9412008
3,4-dimethyl-N-[3-oxo-3-[2-(2,4,6-trichlorophenyl)hydrazinyl]propyl]benzenesulfonamide
CID 2415637
3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 32736543
N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 27567260
N-[3-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 24635797
2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171670
N-[2-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 100756968
N-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 34558984
3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 30132724
4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide
CID 60549753
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 51159054

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide (CID 55619889) is N-[3-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide is COc1ccnc(NNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)n1.
What is the InChIKey of N-[3-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is BSTCOEPWHYIAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4S/c1-11-4-5-13(10-12(11)2)26(23,24)18-9-6-14(22)20-21-16-17-8-7-15(19-16)25-3/h4-5,7-8,10,18H,6,9H2,1-3H3,(H,20,22)(H,17,19,21).
What are the key properties of N-[3-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide?
N-[3-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 379.44 g/mol, XLogP of 0.91, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 55619889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).