4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide

C18H23BrN4O2S — CID 91327378

IUPAC4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2csc(Br)c2)cc1
InChIInChI=1S/C18H23BrN4O2S/c1-3-23(4-2)10-9-20-17(24)13-5-7-14(8-6-13)21-18(25)22-15-11-16(19)26-12-15/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKeyRTMNUANUTKYORG-UHFFFAOYSA-N
MW439.38 g/mol
LogP4.23
Rot. Bonds8

About 4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide

4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 91327378) has the molecular formula C18H23BrN4O2S and a molecular weight of 439.38 g/mol. Its IUPAC name is 4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide
PubChem CID91327378
Molecular FormulaC18H23BrN4O2S
Molecular Weight439.38 g/mol
Exact Mass438.07
IUPAC Name4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2csc(Br)c2)cc1
InChIInChI=1S/C18H23BrN4O2S/c1-3-23(4-2)10-9-20-17(24)13-5-7-14(8-6-13)21-18(25)22-15-11-16(19)26-12-15/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKeyRTMNUANUTKYORG-UHFFFAOYSA-N
XLogP4.23
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide
CID 17229756
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide
CID 142899815
N-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide
CID 91324654
4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827825
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827819
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide
CID 46327661
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 120669281
N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide
CID 4793474
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of 4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide (CID 91327378) is 4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for 4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for 4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2csc(Br)c2)cc1.
What is the InChIKey of 4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is RTMNUANUTKYORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O2S/c1-3-23(4-2)10-9-20-17(24)13-5-7-14(8-6-13)21-18(25)22-15-11-16(19)26-12-15/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,24)(H2,21,22,25).
What are the key properties of 4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide?
4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 439.38 g/mol, XLogP of 4.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 91327378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).