N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide

C20H20N4O2S — CID 75866480

IUPACN-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
SMILESNC(=O)NC(CC(=O)Nc1ccc(Nc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C20H20N4O2S/c21-20(26)24-17(18-7-4-12-27-18)13-19(25)23-16-10-8-15(9-11-16)22-14-5-2-1-3-6-14/h1-12,17,22H,13H2,(H,23,25)(H3,21,24,26)
InChIKeyCRHGKSPZIOPKDH-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.23
Rot. Bonds7

About N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide

N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide (PubChem CID 75866480) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
PubChem CID75866480
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
SMILESNC(=O)NC(CC(=O)Nc1ccc(Nc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C20H20N4O2S/c21-20(26)24-17(18-7-4-12-27-18)13-19(25)23-16-10-8-15(9-11-16)22-14-5-2-1-3-6-14/h1-12,17,22H,13H2,(H,23,25)(H3,21,24,26)
InChIKeyCRHGKSPZIOPKDH-UHFFFAOYSA-N
XLogP4.23
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide
CID 51311861
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 60511072
(3R)-3-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropanamide
CID 26027113
3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide
CID 55577985
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 55951845
3-(carbamoylamino)-N-[3-(3-hydroxy-3-phenylpropyl)phenyl]-3-thiophen-2-ylpropanamide
CID 154837183
[3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea
CID 134011246
3-(carbamoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-thiophen-2-ylpropanamide
CID 55503068
3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide
CID 134024602
3-(carbamoylamino)-N-(3-methylbutan-2-yl)-3-thiophen-2-ylpropanamide
CID 47137941
(3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide
CID 94193166
3-(carbamoylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-3-thiophen-2-ylpropanamide
CID 56809727

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide (CID 75866480) is N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide is NC(=O)NC(CC(=O)Nc1ccc(Nc2ccccc2)cc1)c1cccs1.
What is the InChIKey of N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide?
The InChIKey is CRHGKSPZIOPKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c21-20(26)24-17(18-7-4-12-27-18)13-19(25)23-16-10-8-15(9-11-16)22-14-5-2-1-3-6-14/h1-12,17,22H,13H2,(H,23,25)(H3,21,24,26).
What are the key properties of N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide?
N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide has a molecular weight of 380.47 g/mol, XLogP of 4.23, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 75866480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).