(3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide

C16H16F3N3O3S — CID 41217571

IUPAC(3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESNC(=O)N[C@@H](CC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C16H16F3N3O3S/c17-16(18,19)25-11-5-3-10(4-6-11)9-21-14(23)8-12(22-15(20)24)13-2-1-7-26-13/h1-7,12H,8-9H2,(H,21,23)(H3,20,22,24)/t12-/m0/s1
InChIKeyFZVIBDVFDCRHES-LBPRGKRZSA-N
MW387.38 g/mol
LogP3.06
Rot. Bonds7

About (3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide

(3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 41217571) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is (3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
PubChem CID41217571
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC Name(3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESNC(=O)N[C@@H](CC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C16H16F3N3O3S/c17-16(18,19)25-11-5-3-10(4-6-11)9-21-14(23)8-12(22-15(20)24)13-2-1-7-26-13/h1-7,12H,8-9H2,(H,21,23)(H3,20,22,24)/t12-/m0/s1
InChIKeyFZVIBDVFDCRHES-LBPRGKRZSA-N
XLogP3.06
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide with MolForge

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Related Compounds

3-(carbamoylamino)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-thiophen-2-ylpropanamide
CID 46524392
(3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 41435480
3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61258869
N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 119407113
N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46482581
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
(3R)-3-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropanamide
CID 26027113
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46508205
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-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide
CID 134057478
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide;hydrochloride
CID 120604810

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of (3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide (CID 41217571) is (3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for (3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for (3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide is NC(=O)N[C@@H](CC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cccs1.
What is the InChIKey of (3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is FZVIBDVFDCRHES-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c17-16(18,19)25-11-5-3-10(4-6-11)9-21-14(23)8-12(22-15(20)24)13-2-1-7-26-13/h1-7,12H,8-9H2,(H,21,23)(H3,20,22,24)/t12-/m0/s1.
What are the key properties of (3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
(3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 387.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 41217571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).