N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide

C21H18N6O2S — CID 22300951

IUPACN-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(C(N)=O)n2nnc(-c3ccccc3NC(=O)c3cccs3)n2)cc1
InChIInChI=1S/C21H18N6O2S/c1-13-8-10-14(11-9-13)18(19(22)28)27-25-20(24-26-27)15-5-2-3-6-16(15)23-21(29)17-7-4-12-30-17/h2-12,18H,1H3,(H2,22,28)(H,23,29)
InChIKeyFXJATONZFFUAAC-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.04
Rot. Bonds6

About N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide

N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide (PubChem CID 22300951) has the molecular formula C21H18N6O2S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide
PubChem CID22300951
Molecular FormulaC21H18N6O2S
Molecular Weight418.48 g/mol
Exact Mass418.12
IUPAC NameN-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(C(N)=O)n2nnc(-c3ccccc3NC(=O)c3cccs3)n2)cc1
InChIInChI=1S/C21H18N6O2S/c1-13-8-10-14(11-9-13)18(19(22)28)27-25-20(24-26-27)15-5-2-3-6-16(15)23-21(29)17-7-4-12-30-17/h2-12,18H,1H3,(H2,22,28)(H,23,29)
InChIKeyFXJATONZFFUAAC-UHFFFAOYSA-N
XLogP3.04
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide
CID 22300950
N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-chlorobenzamide
CID 22300953
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
2-(benzotriazol-1-yl)-2-(4-methylphenyl)-1-thiophen-2-ylethanone
CID 3425025
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55765466
N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
CID 118463358
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 30332113
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]thiophene-2-carboxamide
CID 19938182
N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide
CID 107805757

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide (CID 22300951) is N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide is Cc1ccc(C(C(N)=O)n2nnc(-c3ccccc3NC(=O)c3cccs3)n2)cc1.
What is the InChIKey of N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is FXJATONZFFUAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2S/c1-13-8-10-14(11-9-13)18(19(22)28)27-25-20(24-26-27)15-5-2-3-6-16(15)23-21(29)17-7-4-12-30-17/h2-12,18H,1H3,(H2,22,28)(H,23,29).
What are the key properties of N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide?
N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 22300951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).