N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide

C20H25N7O3S — CID 55601078

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(-c3nnnn3C)c2)c1
InChIInChI=1S/C20H25N7O3S/c1-4-27(5-2)31(29,30)18-11-7-10-17(13-18)22-19(28)14-21-16-9-6-8-15(12-16)20-23-24-25-26(20)3/h6-13,21H,4-5,14H2,1-3H3,(H,22,28)
InChIKeyZYURZZRUNJUMBR-UHFFFAOYSA-N
MW443.53 g/mol
LogP1.96
Rot. Bonds9

About N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide

N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide (PubChem CID 55601078) has the molecular formula C20H25N7O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
PubChem CID55601078
Molecular FormulaC20H25N7O3S
Molecular Weight443.53 g/mol
Exact Mass443.17
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(-c3nnnn3C)c2)c1
InChIInChI=1S/C20H25N7O3S/c1-4-27(5-2)31(29,30)18-11-7-10-17(13-18)22-19(28)14-21-16-9-6-8-15(12-16)20-23-24-25-26(20)3/h6-13,21H,4-5,14H2,1-3H3,(H,22,28)
InChIKeyZYURZZRUNJUMBR-UHFFFAOYSA-N
XLogP1.96
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide
CID 55544975
2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide
CID 55544703
N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 32977030
4-(diethylsulfamoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide
CID 55698877
2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide
CID 46600516
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55565210
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
2-(4-chlorophenyl)sulfonyl-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 41360617
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 32977130
N-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide
CID 55816737

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide (CID 55601078) is N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(-c3nnnn3C)c2)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide?
The InChIKey is ZYURZZRUNJUMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3S/c1-4-27(5-2)31(29,30)18-11-7-10-17(13-18)22-19(28)14-21-16-9-6-8-15(12-16)20-23-24-25-26(20)3/h6-13,21H,4-5,14H2,1-3H3,(H,22,28).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide?
N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide has a molecular weight of 443.53 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide is sourced from PubChem (CID 55601078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).