N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide

C15H17N3O2S — CID 47034489

IUPACN-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)c2ccc(NC(N)=O)cc2)s1
InChIInChI=1S/C15H17N3O2S/c1-9-3-8-13(21-9)14(19)17-10(2)11-4-6-12(7-5-11)18-15(16)20/h3-8,10H,1-2H3,(H,17,19)(H3,16,18,20)
InChIKeyJAVJYEKQHGWIDQ-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.04
Rot. Bonds4

About N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide

N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 47034489) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide
PubChem CID47034489
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)c2ccc(NC(N)=O)cc2)s1
InChIInChI=1S/C15H17N3O2S/c1-9-3-8-13(21-9)14(19)17-10(2)11-4-6-12(7-5-11)18-15(16)20/h3-8,10H,1-2H3,(H,17,19)(H3,16,18,20)
InChIKeyJAVJYEKQHGWIDQ-UHFFFAOYSA-N
XLogP3.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 17326902
5-methyl-N-[(1R)-1-pyridin-4-ylethyl]thiophene-2-carboxamide
CID 34759113
5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 2594407
4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 71684807
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 41096263
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80617996
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide
CID 106852997
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55963207
[4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea
CID 107648295
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 31526246
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288546

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide (CID 47034489) is N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC(C)c2ccc(NC(N)=O)cc2)s1.
What is the InChIKey of N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is JAVJYEKQHGWIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9-3-8-13(21-9)14(19)17-10(2)11-4-6-12(7-5-11)18-15(16)20/h3-8,10H,1-2H3,(H,17,19)(H3,16,18,20).
What are the key properties of N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide?
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 47034489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).