N-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide

C27H24ClN3O7S — CID 71656771

IUPACN-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4cc(OC)c(OC)cc4c3Cl)cc2)cc1OC
InChIInChI=1S/C27H24ClN3O7S/c1-35-18-10-7-15(11-19(18)36-2)25(32)29-16-8-5-14(6-9-16)26(33)30-31-27(34)24-23(28)17-12-20(37-3)21(38-4)13-22(17)39-24/h5-13H,1-4H3,(H,29,32)(H,30,33)(H,31,34)
InChIKeyUADSDWYTTURVFM-UHFFFAOYSA-N
MW570.02 g/mol
LogP4.92
Rot. Bonds8

About N-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide

N-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 71656771) has the molecular formula C27H24ClN3O7S and a molecular weight of 570.02 g/mol. Its IUPAC name is N-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
PubChem CID71656771
Molecular FormulaC27H24ClN3O7S
Molecular Weight570.02 g/mol
Exact Mass569.10
IUPAC NameN-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4cc(OC)c(OC)cc4c3Cl)cc2)cc1OC
InChIInChI=1S/C27H24ClN3O7S/c1-35-18-10-7-15(11-19(18)36-2)25(32)29-16-8-5-14(6-9-16)26(33)30-31-27(34)24-23(28)17-12-20(37-3)21(38-4)13-22(17)39-24/h5-13H,1-4H3,(H,29,32)(H,30,33)(H,31,34)
InChIKeyUADSDWYTTURVFM-UHFFFAOYSA-N
XLogP4.92
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.02
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide 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-[[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 71657141
N-[4-[2-(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)hydrazinyl]phenyl]-4-methylbenzamide
CID 174675332
3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide
CID 43004085
N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
CID 3301189
N-[4-[[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3-(dimethylamino)propanamide
CID 56943063
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
CID 4514231
methyl 3-chloro-6-[(3,4-dimethoxyphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate
CID 19677412
3-chloro-N-[4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl]-1-benzothiophene-2-carboxamide
CID 11784869
N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225620
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide (CID 71656771) is N-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4cc(OC)c(OC)cc4c3Cl)cc2)cc1OC.
What is the InChIKey of N-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is UADSDWYTTURVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O7S/c1-35-18-10-7-15(11-19(18)36-2)25(32)29-16-8-5-14(6-9-16)26(33)30-31-27(34)24-23(28)17-12-20(37-3)21(38-4)13-22(17)39-24/h5-13H,1-4H3,(H,29,32)(H,30,33)(H,31,34).
What are the key properties of N-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide?
N-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 570.02 g/mol, XLogP of 4.92, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-chloro-5,6-dimethoxy-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 71656771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).