N-[4-(furan-2-carbonylamino)-3-methylphenyl]-2,1,3-benzothiadiazole-5-carboxamide

C19H14N4O3S — CID 17274588

IUPACN-[4-(furan-2-carbonylamino)-3-methylphenyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3nsnc3c2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C19H14N4O3S/c1-11-9-13(5-7-14(11)21-19(25)17-3-2-8-26-17)20-18(24)12-4-6-15-16(10-12)23-27-22-15/h2-10H,1H3,(H,20,24)(H,21,25)
InChIKeyOMHAOQBWSAVZRM-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.10
Rot. Bonds4

About N-[4-(furan-2-carbonylamino)-3-methylphenyl]-2,1,3-benzothiadiazole-5-carboxamide

N-[4-(furan-2-carbonylamino)-3-methylphenyl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 17274588) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[4-(furan-2-carbonylamino)-3-methylphenyl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-carbonylamino)-3-methylphenyl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID17274588
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC NameN-[4-(furan-2-carbonylamino)-3-methylphenyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3nsnc3c2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C19H14N4O3S/c1-11-9-13(5-7-14(11)21-19(25)17-3-2-8-26-17)20-18(24)12-4-6-15-16(10-12)23-27-22-15/h2-10H,1H3,(H,20,24)(H,21,25)
InChIKeyOMHAOQBWSAVZRM-UHFFFAOYSA-N
XLogP4.10
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
N-[4-(furan-2-carbonylamino)-3-methylphenyl]pyridine-3-carboxamide
CID 650804
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
N-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1086037
N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 9426257
N-[2-methyl-4-[(3-methylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 122132677
N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1365415
N-[4-[(2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 872367
N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 723686
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-(3-chloro-4-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17274467
N-[5-[(3-carbamoylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78779252

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-carbonylamino)-3-methylphenyl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[4-(furan-2-carbonylamino)-3-methylphenyl]-2,1,3-benzothiadiazole-5-carboxamide (CID 17274588) is N-[4-(furan-2-carbonylamino)-3-methylphenyl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-(furan-2-carbonylamino)-3-methylphenyl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[4-(furan-2-carbonylamino)-3-methylphenyl]-2,1,3-benzothiadiazole-5-carboxamide is Cc1cc(NC(=O)c2ccc3nsnc3c2)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[4-(furan-2-carbonylamino)-3-methylphenyl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is OMHAOQBWSAVZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-11-9-13(5-7-14(11)21-19(25)17-3-2-8-26-17)20-18(24)12-4-6-15-16(10-12)23-27-22-15/h2-10H,1H3,(H,20,24)(H,21,25).
What are the key properties of N-[4-(furan-2-carbonylamino)-3-methylphenyl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[4-(furan-2-carbonylamino)-3-methylphenyl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-carbonylamino)-3-methylphenyl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 17274588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).