N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

C17H19N5O2S — CID 95973078

IUPACN-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1sccc1-n1cnnn1
InChIInChI=1S/C17H19N5O2S/c1-3-21(10-15(23)13-6-4-12(2)5-7-13)17(24)16-14(8-9-25-16)22-11-18-19-20-22/h4-9,11,15,23H,3,10H2,1-2H3/t15-/m0/s1
InChIKeyBHDZQDFLNJCFMY-HNNXBMFYSA-N
MW357.44 g/mol
LogP2.23
Rot. Bonds6

About N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 95973078) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID95973078
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1sccc1-n1cnnn1
InChIInChI=1S/C17H19N5O2S/c1-3-21(10-15(23)13-6-4-12(2)5-7-13)17(24)16-14(8-9-25-16)22-11-18-19-20-22/h4-9,11,15,23H,3,10H2,1-2H3/t15-/m0/s1
InChIKeyBHDZQDFLNJCFMY-HNNXBMFYSA-N
XLogP2.23
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47323771
N-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 61219329
N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 111758375
3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
CID 60845060
N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 111758403
methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623319
N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66177071
N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 103862134
3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid
CID 43356470
methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
CID 103730655
N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97052134

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 95973078) is N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1sccc1-n1cnnn1.
What is the InChIKey of N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is BHDZQDFLNJCFMY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-3-21(10-15(23)13-6-4-12(2)5-7-13)17(24)16-14(8-9-25-16)22-11-18-19-20-22/h4-9,11,15,23H,3,10H2,1-2H3/t15-/m0/s1.
What are the key properties of N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 95973078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).