1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide

C24H26N4O4S2 — CID 3575474

IUPAC1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
SMILESCCc1c(C)sc(NC(=O)c2ccc(C(=O)Nc3sc(C)c(CC)c3C(N)=O)cc2)c1C(N)=O
InChIInChI=1S/C24H26N4O4S2/c1-5-15-11(3)33-23(17(15)19(25)29)27-21(31)13-7-9-14(10-8-13)22(32)28-24-18(20(26)30)16(6-2)12(4)34-24/h7-10H,5-6H2,1-4H3,(H2,25,29)(H2,26,30)(H,27,31)(H,28,32)
InChIKeyQTVKBDDEYXPBQQ-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.25
Rot. Bonds8

About 1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide

1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide (PubChem CID 3575474) has the molecular formula C24H26N4O4S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
PubChem CID3575474
Molecular FormulaC24H26N4O4S2
Molecular Weight498.63 g/mol
Exact Mass498.14
IUPAC Name1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
SMILESCCc1c(C)sc(NC(=O)c2ccc(C(=O)Nc3sc(C)c(CC)c3C(N)=O)cc2)c1C(N)=O
InChIInChI=1S/C24H26N4O4S2/c1-5-15-11(3)33-23(17(15)19(25)29)27-21(31)13-7-9-14(10-8-13)22(32)28-24-18(20(26)30)16(6-2)12(4)34-24/h7-10H,5-6H2,1-4H3,(H2,25,29)(H2,26,30)(H,27,31)(H,28,32)
InChIKeyQTVKBDDEYXPBQQ-UHFFFAOYSA-N
XLogP4.25
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-2-[(4-fluorobenzoyl)amino]-5-methylthiophene-3-carboxamide
CID 771120
4-ethyl-2-[[4-(2-methoxyethoxy)benzoyl]amino]-5-methylthiophene-3-carboxamide
CID 17168933
4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide
CID 17168908
4-ethyl-2-[(4-hexoxybenzoyl)amino]-5-methylthiophene-3-carboxamide
CID 17168892
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide
CID 673535
2-[(4-chlorobenzoyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168969
methyl 4-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamothioylcarbamoyl]benzoate
CID 17178663
4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 725819
5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide
CID 1222183
2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 4766562
2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168931
2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 2930937

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide (CID 3575474) is 1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide is CCc1c(C)sc(NC(=O)c2ccc(C(=O)Nc3sc(C)c(CC)c3C(N)=O)cc2)c1C(N)=O.
What is the InChIKey of 1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide?
The InChIKey is QTVKBDDEYXPBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S2/c1-5-15-11(3)33-23(17(15)19(25)29)27-21(31)13-7-9-14(10-8-13)22(32)28-24-18(20(26)30)16(6-2)12(4)34-24/h7-10H,5-6H2,1-4H3,(H2,25,29)(H2,26,30)(H,27,31)(H,28,32).
What are the key properties of 1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide?
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide has a molecular weight of 498.63 g/mol, XLogP of 4.25, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 3575474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).