N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]-4-methoxybenzamide

C22H16ClN3O3S2 — CID 34306461

IUPACN-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C22H16ClN3O3S2/c1-29-16-10-6-14(7-11-16)20(28)26-22-24-18(17-3-2-12-30-17)21(31-22)25-19(27)13-4-8-15(23)9-5-13/h2-12H,1H3,(H,25,27)(H,24,26,28)
InChIKeyBEAMNFNNABFMSA-UHFFFAOYSA-N
MW469.98 g/mol
LogP6.04
Rot. Bonds6

About N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]-4-methoxybenzamide

N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]-4-methoxybenzamide (PubChem CID 34306461) has the molecular formula C22H16ClN3O3S2 and a molecular weight of 469.98 g/mol. Its IUPAC name is N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]-4-methoxybenzamide
PubChem CID34306461
Molecular FormulaC22H16ClN3O3S2
Molecular Weight469.98 g/mol
Exact Mass469.03
IUPAC NameN-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C22H16ClN3O3S2/c1-29-16-10-6-14(7-11-16)20(28)26-22-24-18(17-3-2-12-30-17)21(31-22)25-19(27)13-4-8-15(23)9-5-13/h2-12H,1H3,(H,25,27)(H,24,26,28)
InChIKeyBEAMNFNNABFMSA-UHFFFAOYSA-N
XLogP6.04
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.98
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]-4-methoxybenzamide (CID 34306461) is N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]-4-methoxybenzamide?
The InChIKey is BEAMNFNNABFMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3S2/c1-29-16-10-6-14(7-11-16)20(28)26-22-24-18(17-3-2-12-30-17)21(31-22)25-19(27)13-4-8-15(23)9-5-13/h2-12H,1H3,(H,25,27)(H,24,26,28).
What are the key properties of N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]-4-methoxybenzamide?
N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]-4-methoxybenzamide has a molecular weight of 469.98 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 34306461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).