N-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide

C29H30N2O3S2 — CID 92516408

IUPACN-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide
SMILESCc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)CN(C(C)C)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C29H30N2O3S2/c1-20(2)31(36(33,34)27-14-8-11-22-10-5-7-13-24(22)27)19-28(32)30-17-15-26-25(16-18-35-26)29(30)23-12-6-4-9-21(23)3/h4-14,16,18,20,29H,15,17,19H2,1-3H3/t29-/m1/s1
InChIKeyHYXUSZXUYZHCJI-GDLZYMKVSA-N
MW518.70 g/mol
LogP5.78
Rot. Bonds6

About N-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide

N-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide (PubChem CID 92516408) has the molecular formula C29H30N2O3S2 and a molecular weight of 518.70 g/mol. Its IUPAC name is N-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide
PubChem CID92516408
Molecular FormulaC29H30N2O3S2
Molecular Weight518.70 g/mol
Exact Mass518.17
IUPAC NameN-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide
SMILESCc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)CN(C(C)C)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C29H30N2O3S2/c1-20(2)31(36(33,34)27-14-8-11-22-10-5-7-13-24(22)27)19-28(32)30-17-15-26-25(16-18-35-26)29(30)23-12-6-4-9-21(23)3/h4-14,16,18,20,29H,15,17,19H2,1-3H3/t29-/m1/s1
InChIKeyHYXUSZXUYZHCJI-GDLZYMKVSA-N
XLogP5.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.70
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide with MolForge

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Related Compounds

N-[(2R)-butan-2-yl]-N-[2-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-1-sulfonamide
CID 98373619
N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-1-sulfonamide
CID 3991244
4-chloro-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide
CID 4211817
N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propan-2-ylethenesulfonamide
CID 4211816
4-chloro-N-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 98415349
N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide
CID 4216967
N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylquinoline-8-sulfonamide
CID 3884265
N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylnaphthalene-1-sulfonamide
CID 3927764
N-cyclopropyl-3-methyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]butanamide
CID 3560861
4-bromo-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 3544596
2,5-dichloro-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 4211815
N-[2-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)propanamide
CID 7364041

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide?
The IUPAC name of N-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide (CID 92516408) is N-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide?
The canonical SMILES for N-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide is Cc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)CN(C(C)C)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide?
The InChIKey is HYXUSZXUYZHCJI-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H30N2O3S2/c1-20(2)31(36(33,34)27-14-8-11-22-10-5-7-13-24(22)27)19-28(32)30-17-15-26-25(16-18-35-26)29(30)23-12-6-4-9-21(23)3/h4-14,16,18,20,29H,15,17,19H2,1-3H3/t29-/m1/s1.
What are the key properties of N-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide?
N-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide has a molecular weight of 518.70 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide is sourced from PubChem (CID 92516408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).