N-[4-[C-methyl-N-(pentanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide

C18H21N3O2S — CID 3258777

IUPACN-[4-[C-methyl-N-(pentanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide
SMILESCCCCC(=O)NN=C(C)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H21N3O2S/c1-3-4-7-17(22)21-20-13(2)14-8-10-15(11-9-14)19-18(23)16-6-5-12-24-16/h5-6,8-12H,3-4,7H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyPEWJDTDIOZLJFN-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.03
Rot. Bonds7

About N-[4-[C-methyl-N-(pentanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide

N-[4-[C-methyl-N-(pentanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide (PubChem CID 3258777) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[4-[C-methyl-N-(pentanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[C-methyl-N-(pentanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide
PubChem CID3258777
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[4-[C-methyl-N-(pentanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide
SMILESCCCCC(=O)NN=C(C)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H21N3O2S/c1-3-4-7-17(22)21-20-13(2)14-8-10-15(11-9-14)19-18(23)16-6-5-12-24-16/h5-6,8-12H,3-4,7H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyPEWJDTDIOZLJFN-UHFFFAOYSA-N
XLogP4.03
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(Z)-N-(decanoylamino)-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 6381185
N-[4-[N-(heptanoylamino)-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 5059756
N-[4-[C-methyl-N-(3-methylbutanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4653766
N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 4069311
N-[4-[N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4575514
N-(1-thiophen-2-ylethylideneamino)octanamide
CID 2841814
N-(1-thiophen-2-ylethylideneamino)dodecanamide
CID 4295829
N-[(E)-1-thiophen-2-ylethylideneamino]nonanamide
CID 6307256
N-[4-[N-[(4-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3558400
N-[4-[N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 5099209
N-[4-[C-methyl-N-[(3,4,5-trihydroxybenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3654494
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]thiophene-2-carboxamide
CID 6149852

Frequently Asked Questions

What is the IUPAC name of N-[4-[C-methyl-N-(pentanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[C-methyl-N-(pentanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide (CID 3258777) is N-[4-[C-methyl-N-(pentanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[C-methyl-N-(pentanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[C-methyl-N-(pentanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide is CCCCC(=O)NN=C(C)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[C-methyl-N-(pentanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is PEWJDTDIOZLJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-3-4-7-17(22)21-20-13(2)14-8-10-15(11-9-14)19-18(23)16-6-5-12-24-16/h5-6,8-12H,3-4,7H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of N-[4-[C-methyl-N-(pentanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide?
N-[4-[C-methyl-N-(pentanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[C-methyl-N-(pentanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3258777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).