N-[4,5-dimethyl-3-[(S)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide

C22H21N3O2S2 — CID 93480141

IUPACN-[4,5-dimethyl-3-[(S)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1ccnc(N[C@@H](c2ccsc2)c2c(NC(=O)c3ccco3)sc(C)c2C)c1
InChIInChI=1S/C22H21N3O2S2/c1-13-6-8-23-18(11-13)24-20(16-7-10-28-12-16)19-14(2)15(3)29-22(19)25-21(26)17-5-4-9-27-17/h4-12,20H,1-3H3,(H,23,24)(H,25,26)/t20-/m0/s1
InChIKeyVHZJMQVEBGIOAD-FQEVSTJZSA-N
MW423.56 g/mol
LogP6.18
Rot. Bonds6

About N-[4,5-dimethyl-3-[(S)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide

N-[4,5-dimethyl-3-[(S)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 93480141) has the molecular formula C22H21N3O2S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-[(S)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-[(S)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID93480141
Molecular FormulaC22H21N3O2S2
Molecular Weight423.56 g/mol
Exact Mass423.11
IUPAC NameN-[4,5-dimethyl-3-[(S)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1ccnc(N[C@@H](c2ccsc2)c2c(NC(=O)c3ccco3)sc(C)c2C)c1
InChIInChI=1S/C22H21N3O2S2/c1-13-6-8-23-18(11-13)24-20(16-7-10-28-12-16)19-14(2)15(3)29-22(19)25-21(26)17-5-4-9-27-17/h4-12,20H,1-3H3,(H,23,24)(H,25,26)/t20-/m0/s1
InChIKeyVHZJMQVEBGIOAD-FQEVSTJZSA-N
XLogP6.18
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4,5-dimethyl-3-[(S)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4,5-dimethyl-3-[(R)-[(4-methyl-2-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93480096
N-[3-[(4-ethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 46740780
N-[3-[(R)-(2-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 93480047
N-[3-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 4680052
N-[3-[(R)-(4-fluorophenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 1416458
N-[3-[(S)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 93480387
N-[3-[(S)-(2,5-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 93480128
N-[3-[[(4,6-dimethylpyrimidin-2-yl)amino]-(4-propan-2-ylphenyl)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 46740973
N-[3-[[(4-methyl-2-pyridinyl)amino]-(4-methylsulfanylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 46740690
N-[3-[[(4,6-dimethylpyrimidin-2-yl)amino]-(3-fluorophenyl)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 50749522
N-[4,5-dimethyl-3-[(S)-[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]thiophen-2-yl]benzamide
CID 93064766
N-[3-[(R)-(3-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93479822

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-[(S)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4,5-dimethyl-3-[(S)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide (CID 93480141) is N-[4,5-dimethyl-3-[(S)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4,5-dimethyl-3-[(S)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4,5-dimethyl-3-[(S)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide is Cc1ccnc(N[C@@H](c2ccsc2)c2c(NC(=O)c3ccco3)sc(C)c2C)c1.
What is the InChIKey of N-[4,5-dimethyl-3-[(S)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is VHZJMQVEBGIOAD-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21N3O2S2/c1-13-6-8-23-18(11-13)24-20(16-7-10-28-12-16)19-14(2)15(3)29-22(19)25-21(26)17-5-4-9-27-17/h4-12,20H,1-3H3,(H,23,24)(H,25,26)/t20-/m0/s1.
What are the key properties of N-[4,5-dimethyl-3-[(S)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
N-[4,5-dimethyl-3-[(S)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 6.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-[(S)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93480141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).