N-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide

C22H30N6O3S — CID 55565305

IUPACN-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CNc1cccc(-c2nnnn2C2CC2)c1)N(C1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C22H30N6O3S/c29-21(27(18-7-2-1-3-8-18)20-11-12-32(30,31)15-20)14-23-17-6-4-5-16(13-17)22-24-25-26-28(22)19-9-10-19/h4-6,13,18-20,23H,1-3,7-12,14-15H2
InChIKeyNUHAQNUBJLFYKH-UHFFFAOYSA-N
MW458.59 g/mol
LogP2.44
Rot. Bonds7

About N-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide

N-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 55565305) has the molecular formula C22H30N6O3S and a molecular weight of 458.59 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID55565305
Molecular FormulaC22H30N6O3S
Molecular Weight458.59 g/mol
Exact Mass458.21
IUPAC NameN-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CNc1cccc(-c2nnnn2C2CC2)c1)N(C1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C22H30N6O3S/c29-21(27(18-7-2-1-3-8-18)20-11-12-32(30,31)15-20)14-23-17-6-4-5-16(13-17)22-24-25-26-28(22)19-9-10-19/h4-6,13,18-20,23H,1-3,7-12,14-15H2
InChIKeyNUHAQNUBJLFYKH-UHFFFAOYSA-N
XLogP2.44
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 25332248
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide
CID 25332004
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 134020158
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
CID 134020154
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 43031744
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide
CID 51248896
2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 26530759
N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 55560373
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide
CID 55565798
2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42919595

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 55565305) is N-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(CNc1cccc(-c2nnnn2C2CC2)c1)N(C1CCCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is NUHAQNUBJLFYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O3S/c29-21(27(18-7-2-1-3-8-18)20-11-12-32(30,31)15-20)14-23-17-6-4-5-16(13-17)22-24-25-26-28(22)19-9-10-19/h4-6,13,18-20,23H,1-3,7-12,14-15H2.
What are the key properties of N-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide?
N-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 458.59 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 55565305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).