N-[3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]phenyl]thiophene-2-carboxamide

C19H19N3O3S — CID 55698314

IUPACN-[3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]phenyl]thiophene-2-carboxamide
SMILESCC(Cc1ccco1)NC(=O)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H19N3O3S/c1-13(11-16-7-3-9-25-16)20-19(24)22-15-6-2-5-14(12-15)21-18(23)17-8-4-10-26-17/h2-10,12-13H,11H2,1H3,(H,21,23)(H2,20,22,24)
InChIKeyQWVZWDPTDIEUQY-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.35
Rot. Bonds6

About N-[3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]phenyl]thiophene-2-carboxamide

N-[3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]phenyl]thiophene-2-carboxamide (PubChem CID 55698314) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]phenyl]thiophene-2-carboxamide
PubChem CID55698314
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]phenyl]thiophene-2-carboxamide
SMILESCC(Cc1ccco1)NC(=O)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H19N3O3S/c1-13(11-16-7-3-9-25-16)20-19(24)22-15-6-2-5-14(12-15)21-18(23)17-8-4-10-26-17/h2-10,12-13H,11H2,1H3,(H,21,23)(H2,20,22,24)
InChIKeyQWVZWDPTDIEUQY-UHFFFAOYSA-N
XLogP4.35
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(furan-2-yl)propan-2-yl]-3-(3-methoxyphenyl)urea
CID 47172007
N-[3-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]phenyl]thiophene-2-carboxamide
CID 51945750
1-[1-(furan-2-yl)propan-2-yl]-3-pyridin-3-ylurea
CID 47172008
1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea
CID 47171952
N-[4-(dimethylamino)-3-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 46138548
N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 7268815
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993
1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea
CID 1460428
2-amino-N-[1-(furan-2-yl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 113279094
N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18162547
2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353962
N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 18161069

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]phenyl]thiophene-2-carboxamide (CID 55698314) is N-[3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]phenyl]thiophene-2-carboxamide is CC(Cc1ccco1)NC(=O)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]phenyl]thiophene-2-carboxamide?
The InChIKey is QWVZWDPTDIEUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13(11-16-7-3-9-25-16)20-19(24)22-15-6-2-5-14(12-15)21-18(23)17-8-4-10-26-17/h2-10,12-13H,11H2,1H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-[3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]phenyl]thiophene-2-carboxamide?
N-[3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]phenyl]thiophene-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55698314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).