N-[4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide

C21H25BrN2OS — CID 176738368

IUPACN-[4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide
SMILESCc1cc(N2CCc3sc(Br)cc3C2)cc(C)c1NC(=O)CC1(C)CC1
InChIInChI=1S/C21H25BrN2OS/c1-13-8-16(24-7-4-17-15(12-24)10-18(22)26-17)9-14(2)20(13)23-19(25)11-21(3)5-6-21/h8-10H,4-7,11-12H2,1-3H3,(H,23,25)
InChIKeyMKXDRWFEAVOMSI-UHFFFAOYSA-N
MW433.42 g/mol
LogP5.82
Rot. Bonds4

About N-[4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide

N-[4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide (PubChem CID 176738368) has the molecular formula C21H25BrN2OS and a molecular weight of 433.42 g/mol. Its IUPAC name is N-[4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide
PubChem CID176738368
Molecular FormulaC21H25BrN2OS
Molecular Weight433.42 g/mol
Exact Mass432.09
IUPAC NameN-[4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide
SMILESCc1cc(N2CCc3sc(Br)cc3C2)cc(C)c1NC(=O)CC1(C)CC1
InChIInChI=1S/C21H25BrN2OS/c1-13-8-16(24-7-4-17-15(12-24)10-18(22)26-17)9-14(2)20(13)23-19(25)11-21(3)5-6-21/h8-10H,4-7,11-12H2,1-3H3,(H,23,25)
InChIKeyMKXDRWFEAVOMSI-UHFFFAOYSA-N
XLogP5.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.42
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-chloro-4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide
CID 176738392
N-[4-(2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-(3,3-difluorocyclobutyl)acetamide
CID 176738555
4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline
CID 123813619
N-[4-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 176738515
2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide
CID 176738439
N-[4-(2-fluoro-4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 147695605
2-(3,4-dichlorophenyl)-N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]acetamide
CID 123984754
N-[2,6-dimethyl-4-(4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-yl)phenyl]-3,3-dimethylbutanamide
CID 147255048
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-3-(4-methoxyphenyl)propanamide
CID 123305709
N-[2,6-dimethyl-4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3,3-dimethylbutanamide
CID 58097328
N-[2-chloro-6-fluoro-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]-2-(1-methylcyclobutyl)acetamide
CID 176711222
N-[4-(7,8-difluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 167440599

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide?
The IUPAC name of N-[4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide (CID 176738368) is N-[4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide.
What is the SMILES notation for N-[4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide?
The canonical SMILES for N-[4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide is Cc1cc(N2CCc3sc(Br)cc3C2)cc(C)c1NC(=O)CC1(C)CC1.
What is the InChIKey of N-[4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide?
The InChIKey is MKXDRWFEAVOMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2OS/c1-13-8-16(24-7-4-17-15(12-24)10-18(22)26-17)9-14(2)20(13)23-19(25)11-21(3)5-6-21/h8-10H,4-7,11-12H2,1-3H3,(H,23,25).
What are the key properties of N-[4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide?
N-[4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide has a molecular weight of 433.42 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide is sourced from PubChem (CID 176738368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).