2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide

C21H21N3O4S — CID 11560615

IUPAC2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCOc3ccccc3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C21H21N3O4S/c1-27-15-9-7-14(8-10-15)18-13-17(20(29-18)24-21(22)26)19(25)23-11-12-28-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,23,25)(H3,22,24,26)
InChIKeyLBBRJUNUDKDLBX-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.72
Rot. Bonds8

About 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide

2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide (PubChem CID 11560615) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide
PubChem CID11560615
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCOc3ccccc3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C21H21N3O4S/c1-27-15-9-7-14(8-10-15)18-13-17(20(29-18)24-21(22)26)19(25)23-11-12-28-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,23,25)(H3,22,24,26)
InChIKeyLBBRJUNUDKDLBX-UHFFFAOYSA-N
XLogP3.72
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)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

N-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide
CID 11624156
N-(1,3-benzodioxol-5-ylmethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide
CID 11711566
2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 174506569
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide
CID 7673753
2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 4826880
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
2-(4-methoxyphenyl)-4-methyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 22830449
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26710485

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide (CID 11560615) is 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide is COc1ccc(-c2cc(C(=O)NCCOc3ccccc3)c(NC(N)=O)s2)cc1.
What is the InChIKey of 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide?
The InChIKey is LBBRJUNUDKDLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-27-15-9-7-14(8-10-15)18-13-17(20(29-18)24-21(22)26)19(25)23-11-12-28-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,23,25)(H3,22,24,26).
What are the key properties of 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide?
2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide is sourced from PubChem (CID 11560615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).