N-[4-[(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide

C20H27N5O2S — CID 25499681

IUPACN-[4-[(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C20H27N5O2S/c1-3-7-18(26)21-16-12-10-15(11-13-16)19(27)14(2)28-20-22-23-24-25(20)17-8-5-4-6-9-17/h10-14,17H,3-9H2,1-2H3,(H,21,26)/t14-/m1/s1
InChIKeyNYRDNHPKRUSQOG-CQSZACIVSA-N
MW401.54 g/mol
LogP4.28
Rot. Bonds8

About N-[4-[(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide

N-[4-[(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide (PubChem CID 25499681) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is N-[4-[(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide
PubChem CID25499681
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC NameN-[4-[(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C20H27N5O2S/c1-3-7-18(26)21-16-12-10-15(11-13-16)19(27)14(2)28-20-22-23-24-25(20)17-8-5-4-6-9-17/h10-14,17H,3-9H2,1-2H3,(H,21,26)/t14-/m1/s1
InChIKeyNYRDNHPKRUSQOG-CQSZACIVSA-N
XLogP4.28
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]-2,2-dimethylpropanamide
CID 16570709
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one
CID 55441518
N-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide
CID 18098754
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)propan-1-one
CID 16570689
(2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 27096067
(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 25437973
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-nitrophenyl)propanamide
CID 51258543
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1440839
(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide
CID 26012514
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 46670710
N-[4-[(2R)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]-2-methylpropanamide
CID 9457484
N-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 24519135

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide?
The IUPAC name of N-[4-[(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide (CID 25499681) is N-[4-[(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide?
The canonical SMILES for N-[4-[(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnnn2C2CCCCC2)cc1.
What is the InChIKey of N-[4-[(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide?
The InChIKey is NYRDNHPKRUSQOG-CQSZACIVSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-3-7-18(26)21-16-12-10-15(11-13-16)19(27)14(2)28-20-22-23-24-25(20)17-8-5-4-6-9-17/h10-14,17H,3-9H2,1-2H3,(H,21,26)/t14-/m1/s1.
What are the key properties of N-[4-[(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide?
N-[4-[(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide has a molecular weight of 401.54 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide is sourced from PubChem (CID 25499681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).