3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide

C20H21N3O2S2 — CID 43064243

IUPAC3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide
SMILESNC(=O)NC(CC(=O)N(Cc1cccs1)Cc1cccs1)c1ccccc1
InChIInChI=1S/C20H21N3O2S2/c21-20(25)22-18(15-6-2-1-3-7-15)12-19(24)23(13-16-8-4-10-26-16)14-17-9-5-11-27-17/h1-11,18H,12-14H2,(H3,21,22,25)
InChIKeyBBMZXFUZZHPUMK-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.14
Rot. Bonds8

About 3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide

3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide (PubChem CID 43064243) has the molecular formula C20H21N3O2S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide
PubChem CID43064243
Molecular FormulaC20H21N3O2S2
Molecular Weight399.54 g/mol
Exact Mass399.11
IUPAC Name3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide
SMILESNC(=O)NC(CC(=O)N(Cc1cccs1)Cc1cccs1)c1ccccc1
InChIInChI=1S/C20H21N3O2S2/c21-20(25)22-18(15-6-2-1-3-7-15)12-19(24)23(13-16-8-4-10-26-16)14-17-9-5-11-27-17/h1-11,18H,12-14H2,(H3,21,22,25)
InChIKeyBBMZXFUZZHPUMK-UHFFFAOYSA-N
XLogP4.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(carbamoylamino)-3-(4-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 43022690
N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 55373105
N-[(5-bromothiophen-2-yl)methyl]-3-(carbamoylamino)-N-ethyl-3-phenylpropanamide
CID 42938478
(3R)-3-(carbamoylamino)-N-methyl-3-phenyl-N-[(1R)-1-phenylethyl]propanamide
CID 41327189
(3S)-3-(carbamoylamino)-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-phenylpropanamide
CID 41306258
[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
CID 134567543
(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 969744
N-ethyl-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014388
3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide
CID 104502284
3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide
CID 134024602
N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene
CID 144887997
3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 75468778

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide (CID 43064243) is 3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide is NC(=O)NC(CC(=O)N(Cc1cccs1)Cc1cccs1)c1ccccc1.
What is the InChIKey of 3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide?
The InChIKey is BBMZXFUZZHPUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S2/c21-20(25)22-18(15-6-2-1-3-7-15)12-19(24)23(13-16-8-4-10-26-16)14-17-9-5-11-27-17/h1-11,18H,12-14H2,(H3,21,22,25).
What are the key properties of 3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide?
3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide has a molecular weight of 399.54 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 43064243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).