N-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide

C17H18N6O2S — CID 26124033

IUPACN-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)CCCNC(=O)c2ccsc2)c1
InChIInChI=1S/C17H18N6O2S/c1-23-16(20-21-22-23)12-4-2-5-14(10-12)19-15(24)6-3-8-18-17(25)13-7-9-26-11-13/h2,4-5,7,9-11H,3,6,8H2,1H3,(H,18,25)(H,19,24)
InChIKeyVLCUCWRIAVAQBJ-UHFFFAOYSA-N
MW370.44 g/mol
LogP2.09
Rot. Bonds7

About N-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide

N-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 26124033) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is N-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide
PubChem CID26124033
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC NameN-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)CCCNC(=O)c2ccsc2)c1
InChIInChI=1S/C17H18N6O2S/c1-23-16(20-21-22-23)12-4-2-5-14(10-12)19-15(24)6-3-8-18-17(25)13-7-9-26-11-13/h2,4-5,7,9-11H,3,6,8H2,1H3,(H,18,25)(H,19,24)
InChIKeyVLCUCWRIAVAQBJ-UHFFFAOYSA-N
XLogP2.09
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(1-cyclopropyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide
CID 17496031
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide
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N-[4-(2,6-dimethylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191802
1-[4-(methylamino)butyl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
CID 69111932
N-[4-(4-acetamidoanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17497888
4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide
CID 26124801
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26124808
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38937340
N-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 26702247
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide (CID 26124033) is N-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide is Cn1nnnc1-c1cccc(NC(=O)CCCNC(=O)c2ccsc2)c1.
What is the InChIKey of N-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is VLCUCWRIAVAQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-23-16(20-21-22-23)12-4-2-5-14(10-12)19-15(24)6-3-8-18-17(25)13-7-9-26-11-13/h2,4-5,7,9-11H,3,6,8H2,1H3,(H,18,25)(H,19,24).
What are the key properties of N-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide?
N-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 370.44 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 26124033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).