N-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide

C16H16F2N4O3S — CID 60618030

IUPACN-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)CC(NC(N)=O)c1cccs1
InChIInChI=1S/C16H16F2N4O3S/c1-8(23)20-11-5-9(17)10(18)6-12(11)21-15(24)7-13(22-16(19)25)14-3-2-4-26-14/h2-6,13H,7H2,1H3,(H,20,23)(H,21,24)(H3,19,22,25)
InChIKeyGJACZCAKWVVXAR-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.72
Rot. Bonds6

About N-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide

N-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide (PubChem CID 60618030) has the molecular formula C16H16F2N4O3S and a molecular weight of 382.39 g/mol. Its IUPAC name is N-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
PubChem CID60618030
Molecular FormulaC16H16F2N4O3S
Molecular Weight382.39 g/mol
Exact Mass382.09
IUPAC NameN-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)CC(NC(N)=O)c1cccs1
InChIInChI=1S/C16H16F2N4O3S/c1-8(23)20-11-5-9(17)10(18)6-12(11)21-15(24)7-13(22-16(19)25)14-3-2-4-26-14/h2-6,13H,7H2,1H3,(H,20,23)(H,21,24)(H3,19,22,25)
InChIKeyGJACZCAKWVVXAR-UHFFFAOYSA-N
XLogP2.72
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.72
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
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
N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 119407113
3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide
CID 51309268
N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 75866480
(3R)-3-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropanamide
CID 26027113
3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 46697558
[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(carbamoylamino)-3-thiophen-2-ylpropanoate
CID 42933081
3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 55499971
3-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-thiophen-2-ylpropanamide
CID 134042571
(2S)-2-[[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]amino]hexanoic acid
CID 120615623

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide (CID 60618030) is N-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide is CC(=O)Nc1cc(F)c(F)cc1NC(=O)CC(NC(N)=O)c1cccs1.
What is the InChIKey of N-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide?
The InChIKey is GJACZCAKWVVXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O3S/c1-8(23)20-11-5-9(17)10(18)6-12(11)21-15(24)7-13(22-16(19)25)14-3-2-4-26-14/h2-6,13H,7H2,1H3,(H,20,23)(H,21,24)(H3,19,22,25).
What are the key properties of N-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide?
N-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide has a molecular weight of 382.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 60618030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).