N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-9H-xanthene-9-carboxamide

C21H18N2O3S — CID 1358705

IUPACN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-9H-xanthene-9-carboxamide
SMILESCc1sc(NC(=O)C2c3ccccc3Oc3ccccc32)c(C(N)=O)c1C
InChIInChI=1S/C21H18N2O3S/c1-11-12(2)27-21(17(11)19(22)24)23-20(25)18-13-7-3-5-9-15(13)26-16-10-6-4-8-14(16)18/h3-10,18H,1-2H3,(H2,22,24)(H,23,25)
InChIKeyCYHYRCZWKNVJFH-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.34
Rot. Bonds3

About N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-9H-xanthene-9-carboxamide

N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-9H-xanthene-9-carboxamide (PubChem CID 1358705) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-9H-xanthene-9-carboxamide
PubChem CID1358705
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-9H-xanthene-9-carboxamide
SMILESCc1sc(NC(=O)C2c3ccccc3Oc3ccccc32)c(C(N)=O)c1C
InChIInChI=1S/C21H18N2O3S/c1-11-12(2)27-21(17(11)19(22)24)23-20(25)18-13-7-3-5-9-15(13)26-16-10-6-4-8-14(16)18/h3-10,18H,1-2H3,(H2,22,24)(H,23,25)
InChIKeyCYHYRCZWKNVJFH-UHFFFAOYSA-N
XLogP4.34
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-carbamoyl-4-methyl-2-(9H-xanthene-9-carbonylamino)thiophene-3-carboxylate
CID 2971056
ethyl 4-ethyl-5-methyl-2-(9H-xanthene-9-carbonylamino)thiophene-3-carboxylate
CID 1008955
(2R)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95568673
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 1021509
ethyl 6-methyl-2-(9H-xanthene-9-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950171
N-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide
CID 112773465
ethyl 3-(9H-xanthene-9-carbonylamino)benzoate
CID 1344960
methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate
CID 71893111
N-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
CID 1312260
4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide
CID 35523539
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-9H-xanthene-9-carboxamide (CID 1358705) is N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-9H-xanthene-9-carboxamide is Cc1sc(NC(=O)C2c3ccccc3Oc3ccccc32)c(C(N)=O)c1C.
What is the InChIKey of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-9H-xanthene-9-carboxamide?
The InChIKey is CYHYRCZWKNVJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-11-12(2)27-21(17(11)19(22)24)23-20(25)18-13-7-3-5-9-15(13)26-16-10-6-4-8-14(16)18/h3-10,18H,1-2H3,(H2,22,24)(H,23,25).
What are the key properties of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-9H-xanthene-9-carboxamide?
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-9H-xanthene-9-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 1358705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).