N-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(oxetan-3-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide

C19H19Cl2N5O4S2 — CID 50997136

IUPACN-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(oxetan-3-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)c2csc3c(NC4COC4)ncnc23)c1Cl
InChIInChI=1S/C19H19Cl2N5O4S2/c1-2-5-32(28,29)26-13-4-3-12(20)16(14(13)21)25-19(27)11-8-31-17-15(11)22-9-23-18(17)24-10-6-30-7-10/h3-4,8-10,26H,2,5-7H2,1H3,(H,25,27)(H,22,23,24)
InChIKeyXZVHXDAVFZQSCM-UHFFFAOYSA-N
MW516.43 g/mol
LogP4.21
Rot. Bonds8

About N-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(oxetan-3-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide

N-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(oxetan-3-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 50997136) has the molecular formula C19H19Cl2N5O4S2 and a molecular weight of 516.43 g/mol. Its IUPAC name is N-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(oxetan-3-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(oxetan-3-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID50997136
Molecular FormulaC19H19Cl2N5O4S2
Molecular Weight516.43 g/mol
Exact Mass515.03
IUPAC NameN-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(oxetan-3-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)c2csc3c(NC4COC4)ncnc23)c1Cl
InChIInChI=1S/C19H19Cl2N5O4S2/c1-2-5-32(28,29)26-13-4-3-12(20)16(14(13)21)25-19(27)11-8-31-17-15(11)22-9-23-18(17)24-10-6-30-7-10/h3-4,8-10,26H,2,5-7H2,1H3,(H,25,27)(H,22,23,24)
InChIKeyXZVHXDAVFZQSCM-UHFFFAOYSA-N
XLogP4.21
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.43
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(oxetan-3-ylamino)thieno[3,2-d]pyrimidine-7-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-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(morpholin-4-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide
CID 50997135
4-chloro-N-[2,6-dichloro-3-(3-fluoropropylsulfonylamino)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 86666978
4-(cyclopropylamino)-N-[2,6-difluoro-3-(3-fluoropropylsulfonylamino)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 50997132
4-amino-N-[6-chloro-3-(propylsulfonylamino)-2-[2-tri(propan-2-yl)silylethynyl]phenyl]quinazoline-8-carboxamide
CID 71208000
[4-[[3-[[4-(cyclopropylamino)thieno[3,2-d]pyrimidine-7-carbonyl]amino]-4-methylbenzoyl]amino]-2-(trifluoromethyl)phenyl]methyl methanesulfonate
CID 53345537
N-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide
CID 67042873
ethyl N-[[7-[(2,6-dichloro-3-methoxy-5-methylphenyl)carbamoyl]thieno[3,2-d]pyrimidin-4-yl]carbamothioyl]carbamate
CID 89252826
4-(cyclopropylamino)-N-[5-[[3-(ethylamino)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 53346387
4-[4-(4-ethylpiperazin-1-yl)-2-propan-2-yloxyanilino]-N-(2,4,6-trichloro-3,5-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 87357687
N-(4-bromo-2,6-dichloro-3-methoxy-5-methylphenyl)-4-(2,3,4-trifluoroanilino)thieno[3,2-d]pyrimidine-7-carboxamide
CID 89252891
4-(cyclopropylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 53345848
N-(2,6-dichloro-3-methoxy-5-methylphenyl)-4-[4-(dimethylamino)anilino]thieno[3,2-d]pyrimidine-7-carboxamide
CID 89252842

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(oxetan-3-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(oxetan-3-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide (CID 50997136) is N-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(oxetan-3-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(oxetan-3-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(oxetan-3-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide is CCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)c2csc3c(NC4COC4)ncnc23)c1Cl.
What is the InChIKey of N-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(oxetan-3-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is XZVHXDAVFZQSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O4S2/c1-2-5-32(28,29)26-13-4-3-12(20)16(14(13)21)25-19(27)11-8-31-17-15(11)22-9-23-18(17)24-10-6-30-7-10/h3-4,8-10,26H,2,5-7H2,1H3,(H,25,27)(H,22,23,24).
What are the key properties of N-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(oxetan-3-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide?
N-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(oxetan-3-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 516.43 g/mol, XLogP of 4.21, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-3-(propylsulfonylamino)phenyl]-4-(oxetan-3-ylamino)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 50997136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).