N-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonylamino)phenyl]phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide

C30H30N4O2S2 — CID 139573067

IUPACN-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonylamino)phenyl]phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2cc3c(s2)CNCC3)cccc1-c1cccc(NC(=O)c2cc3c(s2)CNCC3)c1C
InChIInChI=1S/C30H30N4O2S2/c1-17-21(5-3-7-23(17)33-29(35)25-13-19-9-11-31-15-27(19)37-25)22-6-4-8-24(18(22)2)34-30(36)26-14-20-10-12-32-16-28(20)38-26/h3-8,13-14,31-32H,9-12,15-16H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyHZCATXZSFTUZBE-UHFFFAOYSA-N
MW542.73 g/mol
LogP5.89
Rot. Bonds5

About N-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonylamino)phenyl]phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide

N-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonylamino)phenyl]phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide (PubChem CID 139573067) has the molecular formula C30H30N4O2S2 and a molecular weight of 542.73 g/mol. Its IUPAC name is N-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonylamino)phenyl]phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonylamino)phenyl]phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide
PubChem CID139573067
Molecular FormulaC30H30N4O2S2
Molecular Weight542.73 g/mol
Exact Mass542.18
IUPAC NameN-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonylamino)phenyl]phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2cc3c(s2)CNCC3)cccc1-c1cccc(NC(=O)c2cc3c(s2)CNCC3)c1C
InChIInChI=1S/C30H30N4O2S2/c1-17-21(5-3-7-23(17)33-29(35)25-13-19-9-11-31-15-27(19)37-25)22-6-4-8-24(18(22)2)34-30(36)26-14-20-10-12-32-16-28(20)38-26/h3-8,13-14,31-32H,9-12,15-16H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyHZCATXZSFTUZBE-UHFFFAOYSA-N
XLogP5.89
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.73
LogP ≤ 55.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonylamino)phenyl]phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

N-(3-hydroxy-2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 64792519
N-(3-hydroxy-2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 64794010
N-[3-[2-[4-(dimethylcarbamoyl)anilino]pyrimidin-4-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24859527
4-[2-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)phenyl]-2-pyridin-3-yl-1H-indole-7-carboxamide
CID 86762827
N-[2-(1H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 71910449
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 120883390
N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134019153
(5R)-N-(2-ethylphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7750888
N-[3-(3-amino-2-methylphenyl)-2-methylphenyl]-4-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide
CID 167240009
N-(2-propan-2-ylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7958260
N-(2-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7947687
N-[(2-methylindazol-6-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide
CID 166261577

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonylamino)phenyl]phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonylamino)phenyl]phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide (CID 139573067) is N-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonylamino)phenyl]phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonylamino)phenyl]phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonylamino)phenyl]phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide is Cc1c(NC(=O)c2cc3c(s2)CNCC3)cccc1-c1cccc(NC(=O)c2cc3c(s2)CNCC3)c1C.
What is the InChIKey of N-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonylamino)phenyl]phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is HZCATXZSFTUZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2S2/c1-17-21(5-3-7-23(17)33-29(35)25-13-19-9-11-31-15-27(19)37-25)22-6-4-8-24(18(22)2)34-30(36)26-14-20-10-12-32-16-28(20)38-26/h3-8,13-14,31-32H,9-12,15-16H2,1-2H3,(H,33,35)(H,34,36).
What are the key properties of N-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonylamino)phenyl]phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide?
N-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonylamino)phenyl]phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 542.73 g/mol, XLogP of 5.89, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonylamino)phenyl]phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 139573067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).