N-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide

C18H24N6O4S — CID 1429464

IUPACN-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1)NC[C@@H]1CCCO1
InChIInChI=1S/C18H24N6O4S/c25-17(19-12-15-4-3-11-28-15)13-24-21-18(20-22-24)14-5-7-16(8-6-14)29(26,27)23-9-1-2-10-23/h5-8,15H,1-4,9-13H2,(H,19,25)/t15-/m0/s1
InChIKeySZLBYCQFFLKFCF-HNNXBMFYSA-N
MW420.50 g/mol
LogP0.42
Rot. Bonds7

About N-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide

N-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide (PubChem CID 1429464) has the molecular formula C18H24N6O4S and a molecular weight of 420.50 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide
PubChem CID1429464
Molecular FormulaC18H24N6O4S
Molecular Weight420.50 g/mol
Exact Mass420.16
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1)NC[C@@H]1CCCO1
InChIInChI=1S/C18H24N6O4S/c25-17(19-12-15-4-3-11-28-15)13-24-21-18(20-22-24)14-5-7-16(8-6-14)29(26,27)23-9-1-2-10-23/h5-8,15H,1-4,9-13H2,(H,19,25)/t15-/m0/s1
InChIKeySZLBYCQFFLKFCF-HNNXBMFYSA-N
XLogP0.42
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 1429463
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7713076
N-(oxolan-2-ylmethyl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3178254
N-[[(2R)-oxolan-2-yl]methyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 92898470
N-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 53010218
N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8819159
N-(oxolan-2-ylmethyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 126457292
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 7964739
1-(oxolan-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 2957058
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46294822
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide
CID 23941582
N-[[(2R)-oxolan-2-yl]methyl]-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 97043853

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide (CID 1429464) is N-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1)NC[C@@H]1CCCO1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is SZLBYCQFFLKFCF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N6O4S/c25-17(19-12-15-4-3-11-28-15)13-24-21-18(20-22-24)14-5-7-16(8-6-14)29(26,27)23-9-1-2-10-23/h5-8,15H,1-4,9-13H2,(H,19,25)/t15-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide?
N-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 420.50 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 1429464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).