N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methoxy-5-phenylthiophene-2-carboxamide

C21H21N3O3S — CID 55961939

IUPACN-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methoxy-5-phenylthiophene-2-carboxamide
SMILESCOc1cc(-c2ccccc2)sc1C(=O)NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C21H21N3O3S/c1-13(14-8-10-16(11-9-14)24-21(22)26)23-20(25)19-17(27-2)12-18(28-19)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,23,25)(H3,22,24,26)
InChIKeyXNHRDPHTSIOXSL-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.41
Rot. Bonds6

About N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methoxy-5-phenylthiophene-2-carboxamide

N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methoxy-5-phenylthiophene-2-carboxamide (PubChem CID 55961939) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methoxy-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methoxy-5-phenylthiophene-2-carboxamide
PubChem CID55961939
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methoxy-5-phenylthiophene-2-carboxamide
SMILESCOc1cc(-c2ccccc2)sc1C(=O)NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C21H21N3O3S/c1-13(14-8-10-16(11-9-14)24-21(22)26)23-20(25)19-17(27-2)12-18(28-19)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,23,25)(H3,22,24,26)
InChIKeyXNHRDPHTSIOXSL-UHFFFAOYSA-N
XLogP4.41
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 47034214
N-(3-acetamidophenyl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55834572
3-methoxy-5-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 86945459
4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 71684807
3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide
CID 120831086
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55963207
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 47034489
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
CID 94062816
N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 71848991
3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide
CID 52671085

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methoxy-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methoxy-5-phenylthiophene-2-carboxamide (CID 55961939) is N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methoxy-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methoxy-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methoxy-5-phenylthiophene-2-carboxamide is COc1cc(-c2ccccc2)sc1C(=O)NC(C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methoxy-5-phenylthiophene-2-carboxamide?
The InChIKey is XNHRDPHTSIOXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-13(14-8-10-16(11-9-14)24-21(22)26)23-20(25)19-17(27-2)12-18(28-19)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,23,25)(H3,22,24,26).
What are the key properties of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methoxy-5-phenylthiophene-2-carboxamide?
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methoxy-5-phenylthiophene-2-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methoxy-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 55961939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).