(3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide

C17H21N3O2S — CID 26081925

IUPAC(3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCc1ccccc1[C@@H](C)NC(=O)C[C@@H](NC(N)=O)c1cccs1
InChIInChI=1S/C17H21N3O2S/c1-11-6-3-4-7-13(11)12(2)19-16(21)10-14(20-17(18)22)15-8-5-9-23-15/h3-9,12,14H,10H2,1-2H3,(H,19,21)(H3,18,20,22)/t12-,14-/m1/s1
InChIKeyQRCJRPCMHYNBBT-TZMCWYRMSA-N
MW331.44 g/mol
LogP3.03
Rot. Bonds6

About (3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide

(3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 26081925) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID26081925
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name(3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCc1ccccc1[C@@H](C)NC(=O)C[C@@H](NC(N)=O)c1cccs1
InChIInChI=1S/C17H21N3O2S/c1-11-6-3-4-7-13(11)12(2)19-16(21)10-14(20-17(18)22)15-8-5-9-23-15/h3-9,12,14H,10H2,1-2H3,(H,19,21)(H3,18,20,22)/t12-,14-/m1/s1
InChIKeyQRCJRPCMHYNBBT-TZMCWYRMSA-N
XLogP3.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-[1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 42931334
(3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 26082625
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-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide
CID 134024602
3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide
CID 86980661
N-[1-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 47004762
N-(2-amino-2-methylpropyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide
CID 119625989
4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide
CID 81087139
3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide
CID 51311861
[3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea
CID 134011246
N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119495043

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of (3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide (CID 26081925) is (3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide is Cc1ccccc1[C@@H](C)NC(=O)C[C@@H](NC(N)=O)c1cccs1.
What is the InChIKey of (3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is QRCJRPCMHYNBBT-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11-6-3-4-7-13(11)12(2)19-16(21)10-14(20-17(18)22)15-8-5-9-23-15/h3-9,12,14H,10H2,1-2H3,(H,19,21)(H3,18,20,22)/t12-,14-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide?
(3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 331.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 26081925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).