2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide

C17H21N3O5S — CID 10134310

IUPAC2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide
SMILESCOCCOCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1
InChIInChI=1S/C17H21N3O5S/c1-23-6-7-24-8-9-25-12-4-2-11(3-5-12)14-10-13(15(18)21)16(26-14)20-17(19)22/h2-5,10H,6-9H2,1H3,(H2,18,21)(H3,19,20,22)
InChIKeyHSTMLKQZZRBSOQ-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.05
Rot. Bonds10

About 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide

2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide (PubChem CID 10134310) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide
PubChem CID10134310
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide
SMILESCOCCOCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1
InChIInChI=1S/C17H21N3O5S/c1-23-6-7-24-8-9-25-12-4-2-11(3-5-12)14-10-13(15(18)21)16(26-14)20-17(19)22/h2-5,10H,6-9H2,1H3,(H2,18,21)(H3,19,20,22)
InChIKeyHSTMLKQZZRBSOQ-UHFFFAOYSA-N
XLogP2.05
TPSA125.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(2-Dimethylaminoethyloxy)phenyl]-2-Ureido-Thiophene-3-Carboxamide
CID 9902908
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 675881
Ethyl 4-(4-methoxyphenyl)-2-{[(phenylsulfanyl)acetyl]amino}thiophene-3-carboxylate
CID 1008698
5-Ethyl-2-{[3-(4-methoxyphenyl)acryloyl]amino}-3-thiophenecarboxylic acid
CID 776614
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 2476663
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 4786402
(E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 1181875
Ethyl 2-{[(2E)-3-(4-methoxyphenyl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5710767
2-[[4-(Difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide
CID 2132378
3-[(Aminocarbonyl)amino]-5-(4-methoxyphenyl)-2-thiophenecarboxamide
CID 9943895
3-ThiophenecarboxaMide, 2-[(aMinocarbonyl)aMino]-5-[2-[2-[Methyl(phenylMethyl)aMino]ethoxy]phenyl]-
CID 9954114
3-[(Aminocarbonyl)amino]-5-(3-methoxyphenyl)-2-thiophenecarboxamide
CID 9965828

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide (CID 10134310) is 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide is COCCOCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1.
What is the InChIKey of 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide?
The InChIKey is HSTMLKQZZRBSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-23-6-7-24-8-9-25-12-4-2-11(3-5-12)14-10-13(15(18)21)16(26-14)20-17(19)22/h2-5,10H,6-9H2,1H3,(H2,18,21)(H3,19,20,22).
What are the key properties of 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 2.05, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 10134310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).