N-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide

C19H25N5OS — CID 39639775

IUPACN-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCC(C)c1ccc(CN(C(=O)CSc2nnnn2C2CC2)C2CC2)cc1
InChIInChI=1S/C19H25N5OS/c1-13(2)15-5-3-14(4-6-15)11-23(16-7-8-16)18(25)12-26-19-20-21-22-24(19)17-9-10-17/h3-6,13,16-17H,7-12H2,1-2H3
InChIKeyZCAATUKJQFTFOK-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.41
Rot. Bonds8

About N-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide

N-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide (PubChem CID 39639775) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is N-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
PubChem CID39639775
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC NameN-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCC(C)c1ccc(CN(C(=O)CSc2nnnn2C2CC2)C2CC2)cc1
InChIInChI=1S/C19H25N5OS/c1-13(2)15-5-3-14(4-6-15)11-23(16-7-8-16)18(25)12-26-19-20-21-22-24(19)17-9-10-17/h3-6,13,16-17H,7-12H2,1-2H3
InChIKeyZCAATUKJQFTFOK-UHFFFAOYSA-N
XLogP3.41
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]phenyl]propanoic acid
CID 105345079
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 56560718
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 27094394
N-cyclohexyl-N-ethyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7713613
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 39642004
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46588445
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 24522843
N-cyclopropyl-2-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]acetamide;hydrochloride
CID 119693001
4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 120559362
N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
CID 3870642
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-ethylamino]acetic acid
CID 54900172
N-cyclopropyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 17484154

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide (CID 39639775) is N-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide is CC(C)c1ccc(CN(C(=O)CSc2nnnn2C2CC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The InChIKey is ZCAATUKJQFTFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-13(2)15-5-3-14(4-6-15)11-23(16-7-8-16)18(25)12-26-19-20-21-22-24(19)17-9-10-17/h3-6,13,16-17H,7-12H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide?
N-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide has a molecular weight of 371.51 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 39639775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).