(3R)-3-(carbamoylamino)-N-(1-phenylcyclobutyl)-3-thiophen-2-ylpropanamide

C18H21N3O2S — CID 94809089

IUPAC(3R)-3-(carbamoylamino)-N-(1-phenylcyclobutyl)-3-thiophen-2-ylpropanamide
SMILESNC(=O)N[C@H](CC(=O)NC1(c2ccccc2)CCC1)c1cccs1
InChIInChI=1S/C18H21N3O2S/c19-17(23)20-14(15-8-4-11-24-15)12-16(22)21-18(9-5-10-18)13-6-2-1-3-7-13/h1-4,6-8,11,14H,5,9-10,12H2,(H,21,22)(H3,19,20,23)/t14-/m1/s1
InChIKeyRLKKTQHZDNVRCD-CQSZACIVSA-N
MW343.45 g/mol
LogP3.04
Rot. Bonds6

About (3R)-3-(carbamoylamino)-N-(1-phenylcyclobutyl)-3-thiophen-2-ylpropanamide

(3R)-3-(carbamoylamino)-N-(1-phenylcyclobutyl)-3-thiophen-2-ylpropanamide (PubChem CID 94809089) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-N-(1-phenylcyclobutyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-N-(1-phenylcyclobutyl)-3-thiophen-2-ylpropanamide
PubChem CID94809089
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name(3R)-3-(carbamoylamino)-N-(1-phenylcyclobutyl)-3-thiophen-2-ylpropanamide
SMILESNC(=O)N[C@H](CC(=O)NC1(c2ccccc2)CCC1)c1cccs1
InChIInChI=1S/C18H21N3O2S/c19-17(23)20-14(15-8-4-11-24-15)12-16(22)21-18(9-5-10-18)13-6-2-1-3-7-13/h1-4,6-8,11,14H,5,9-10,12H2,(H,21,22)(H3,19,20,23)/t14-/m1/s1
InChIKeyRLKKTQHZDNVRCD-CQSZACIVSA-N
XLogP3.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide
CID 26026931
3-(carbamoylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-3-thiophen-2-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-N-(1-phenylcyclobutyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of (3R)-3-(carbamoylamino)-N-(1-phenylcyclobutyl)-3-thiophen-2-ylpropanamide (CID 94809089) is (3R)-3-(carbamoylamino)-N-(1-phenylcyclobutyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3R)-3-(carbamoylamino)-N-(1-phenylcyclobutyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3R)-3-(carbamoylamino)-N-(1-phenylcyclobutyl)-3-thiophen-2-ylpropanamide is NC(=O)N[C@H](CC(=O)NC1(c2ccccc2)CCC1)c1cccs1.
What is the InChIKey of (3R)-3-(carbamoylamino)-N-(1-phenylcyclobutyl)-3-thiophen-2-ylpropanamide?
The InChIKey is RLKKTQHZDNVRCD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N3O2S/c19-17(23)20-14(15-8-4-11-24-15)12-16(22)21-18(9-5-10-18)13-6-2-1-3-7-13/h1-4,6-8,11,14H,5,9-10,12H2,(H,21,22)(H3,19,20,23)/t14-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-N-(1-phenylcyclobutyl)-3-thiophen-2-ylpropanamide?
(3R)-3-(carbamoylamino)-N-(1-phenylcyclobutyl)-3-thiophen-2-ylpropanamide has a molecular weight of 343.45 g/mol, XLogP of 3.04, 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-(1-phenylcyclobutyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 94809089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).