N-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide

C18H21ClN2O2S — CID 102558788

IUPACN-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
SMILESCC(C)Nc1c(Cl)cccc1NC(=O)CC1OCCc2ccsc21
InChIInChI=1S/C18H21ClN2O2S/c1-11(2)20-17-13(19)4-3-5-14(17)21-16(22)10-15-18-12(6-8-23-15)7-9-24-18/h3-5,7,9,11,15,20H,6,8,10H2,1-2H3,(H,21,22)
InChIKeyKLANACRMWMLCSH-UHFFFAOYSA-N
MW364.90 g/mol
LogP4.86
Rot. Bonds5

About N-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide

N-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide (PubChem CID 102558788) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is N-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
PubChem CID102558788
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC NameN-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
SMILESCC(C)Nc1c(Cl)cccc1NC(=O)CC1OCCc2ccsc21
InChIInChI=1S/C18H21ClN2O2S/c1-11(2)20-17-13(19)4-3-5-14(17)21-16(22)10-15-18-12(6-8-23-15)7-9-24-18/h3-5,7,9,11,15,20H,6,8,10H2,1-2H3,(H,21,22)
InChIKeyKLANACRMWMLCSH-UHFFFAOYSA-N
XLogP4.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide 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

2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[2-(5-ethyltetrazol-1-yl)phenyl]acetamide
CID 154838103
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-fluoro-6-pyrazol-1-ylphenyl)acetamide
CID 102556585
2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
CID 71931463
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
CID 102558789
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide
CID 99813507
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide
CID 97029603
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide
CID 102557321
2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 71855099
9H-fluoren-9-ylmethyl N-[(1S)-1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethyl]carbamate
CID 123872102
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 102554411
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
The IUPAC name of N-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide (CID 102558788) is N-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide.
What is the SMILES notation for N-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
The canonical SMILES for N-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide is CC(C)Nc1c(Cl)cccc1NC(=O)CC1OCCc2ccsc21.
What is the InChIKey of N-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
The InChIKey is KLANACRMWMLCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-11(2)20-17-13(19)4-3-5-14(17)21-16(22)10-15-18-12(6-8-23-15)7-9-24-18/h3-5,7,9,11,15,20H,6,8,10H2,1-2H3,(H,21,22).
What are the key properties of N-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
N-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide has a molecular weight of 364.90 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide is sourced from PubChem (CID 102558788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).