N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide

C16H21N5OS2 — CID 39612986

IUPACN-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CC1)N[C@@H](c1cccs1)C1CCCC1
InChIInChI=1S/C16H21N5OS2/c22-14(10-24-16-18-19-20-21(16)12-7-8-12)17-15(11-4-1-2-5-11)13-6-3-9-23-13/h3,6,9,11-12,15H,1-2,4-5,7-8,10H2,(H,17,22)/t15-/m1/s1
InChIKeyIZJNKBLYBLBQEL-OAHLLOKOSA-N
MW363.51 g/mol
LogP3.21
Rot. Bonds7

About N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide

N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide (PubChem CID 39612986) has the molecular formula C16H21N5OS2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
PubChem CID39612986
Molecular FormulaC16H21N5OS2
Molecular Weight363.51 g/mol
Exact Mass363.12
IUPAC NameN-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CC1)N[C@@H](c1cccs1)C1CCCC1
InChIInChI=1S/C16H21N5OS2/c22-14(10-24-16-18-19-20-21(16)12-7-8-12)17-15(11-4-1-2-5-11)13-6-3-9-23-13/h3,6,9,11-12,15H,1-2,4-5,7-8,10H2,(H,17,22)/t15-/m1/s1
InChIKeyIZJNKBLYBLBQEL-OAHLLOKOSA-N
XLogP3.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46640187
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46588445
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 39988474
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40702766
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1,1-diphenylpropan-2-yl)acetamide
CID 55632212
N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 51560897
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide
CID 18098953
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
2-(cyclopentylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 60847966
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 17413002
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 51259000

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide (CID 39612986) is N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1C1CC1)N[C@@H](c1cccs1)C1CCCC1.
What is the InChIKey of N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is IZJNKBLYBLBQEL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N5OS2/c22-14(10-24-16-18-19-20-21(16)12-7-8-12)17-15(11-4-1-2-5-11)13-6-3-9-23-13/h3,6,9,11-12,15H,1-2,4-5,7-8,10H2,(H,17,22)/t15-/m1/s1.
What are the key properties of N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 363.51 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 39612986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).