(2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide

C13H14N6O2S — CID 9207001

IUPAC(2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESNC(=O)NC(=O)[C@H](Sc1nnnn1C1CC1)c1ccccc1
InChIInChI=1S/C13H14N6O2S/c14-12(21)15-11(20)10(8-4-2-1-3-5-8)22-13-16-17-18-19(13)9-6-7-9/h1-5,9-10H,6-7H2,(H3,14,15,20,21)/t10-/m1/s1
InChIKeyMMYOAJSKVGDYOI-SNVBAGLBSA-N
MW318.36 g/mol
LogP1.04
Rot. Bonds5

About (2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide

(2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide (PubChem CID 9207001) has the molecular formula C13H14N6O2S and a molecular weight of 318.36 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide
PubChem CID9207001
Molecular FormulaC13H14N6O2S
Molecular Weight318.36 g/mol
Exact Mass318.09
IUPAC Name(2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESNC(=O)NC(=O)[C@H](Sc1nnnn1C1CC1)c1ccccc1
InChIInChI=1S/C13H14N6O2S/c14-12(21)15-11(20)10(8-4-2-1-3-5-8)22-13-16-17-18-19(13)9-6-7-9/h1-5,9-10H,6-7H2,(H3,14,15,20,21)/t10-/m1/s1
InChIKeyMMYOAJSKVGDYOI-SNVBAGLBSA-N
XLogP1.04
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide
CID 51280082
(2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 95347603
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 46645485
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 46645368
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-phenylpropanoic acid
CID 63098233
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 41095349
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 46645490
(2R)-N-carbamoyl-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 41104114
(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
CID 9208040
N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 132897669
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylpropanoic acid
CID 63098410
(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 27096965

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of (2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide (CID 9207001) is (2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for (2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide is NC(=O)NC(=O)[C@H](Sc1nnnn1C1CC1)c1ccccc1.
What is the InChIKey of (2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The InChIKey is MMYOAJSKVGDYOI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N6O2S/c14-12(21)15-11(20)10(8-4-2-1-3-5-8)22-13-16-17-18-19(13)9-6-7-9/h1-5,9-10H,6-7H2,(H3,14,15,20,21)/t10-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
(2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide has a molecular weight of 318.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 9207001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).