2-(methylcarbamoylamino)-N,N-bis(thiophen-2-ylmethyl)hexanamide

C18H25N3O2S2 — CID 76534196

IUPAC2-(methylcarbamoylamino)-N,N-bis(thiophen-2-ylmethyl)hexanamide
SMILESCCCCC(NC(=O)NC)C(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C18H25N3O2S2/c1-3-4-9-16(20-18(23)19-2)17(22)21(12-14-7-5-10-24-14)13-15-8-6-11-25-15/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3,(H2,19,20,23)
InChIKeyPJROYUSTLBXFDU-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.83
Rot. Bonds9

About 2-(methylcarbamoylamino)-N,N-bis(thiophen-2-ylmethyl)hexanamide

2-(methylcarbamoylamino)-N,N-bis(thiophen-2-ylmethyl)hexanamide (PubChem CID 76534196) has the molecular formula C18H25N3O2S2 and a molecular weight of 379.55 g/mol. Its IUPAC name is 2-(methylcarbamoylamino)-N,N-bis(thiophen-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name2-(methylcarbamoylamino)-N,N-bis(thiophen-2-ylmethyl)hexanamide
PubChem CID76534196
Molecular FormulaC18H25N3O2S2
Molecular Weight379.55 g/mol
Exact Mass379.14
IUPAC Name2-(methylcarbamoylamino)-N,N-bis(thiophen-2-ylmethyl)hexanamide
SMILESCCCCC(NC(=O)NC)C(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C18H25N3O2S2/c1-3-4-9-16(20-18(23)19-2)17(22)21(12-14-7-5-10-24-14)13-15-8-6-11-25-15/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3,(H2,19,20,23)
InChIKeyPJROYUSTLBXFDU-UHFFFAOYSA-N
XLogP3.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-1-[bis(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]carbamoylamino]butanoic acid
CID 118620773
tert-butyl N-[(2R)-1-[bis(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]carbamate
CID 140616777
[[(2S)-1-[bis(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]carbamoylamino] (2R)-2-phenylpropanoate
CID 175290759
(3S)-3-[[(2S)-1-[bis(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]carbamoylamino]-3-(1,3,2-dioxazolidin-2-yl)propanoic acid
CID 142647780
[(5S)-6-[butyl(thiophen-2-ylmethyl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]carbamic acid
CID 118113494
[(5S)-6-[bis(thiophen-2-ylmethyl)amino]-5-(ethoxycarbonylamino)-6-oxohexyl] N-benzylcarbamate
CID 123495586
N-ethyl-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 79201660
bis(thiophen-2-ylmethyl)carbamoylsulfanyl-[(2S)-hexan-2-yl]carbamic acid
CID 87946200
methyl (2R)-2-[[amino-[bis(thiophen-2-ylmethyl)amino]methylidene]amino]hexanoate
CID 163791117
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271767
methyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate
CID 112547960
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119271759

Frequently Asked Questions

What is the IUPAC name of 2-(methylcarbamoylamino)-N,N-bis(thiophen-2-ylmethyl)hexanamide?
The IUPAC name of 2-(methylcarbamoylamino)-N,N-bis(thiophen-2-ylmethyl)hexanamide (CID 76534196) is 2-(methylcarbamoylamino)-N,N-bis(thiophen-2-ylmethyl)hexanamide.
What is the SMILES notation for 2-(methylcarbamoylamino)-N,N-bis(thiophen-2-ylmethyl)hexanamide?
The canonical SMILES for 2-(methylcarbamoylamino)-N,N-bis(thiophen-2-ylmethyl)hexanamide is CCCCC(NC(=O)NC)C(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 2-(methylcarbamoylamino)-N,N-bis(thiophen-2-ylmethyl)hexanamide?
The InChIKey is PJROYUSTLBXFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S2/c1-3-4-9-16(20-18(23)19-2)17(22)21(12-14-7-5-10-24-14)13-15-8-6-11-25-15/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3,(H2,19,20,23).
What are the key properties of 2-(methylcarbamoylamino)-N,N-bis(thiophen-2-ylmethyl)hexanamide?
2-(methylcarbamoylamino)-N,N-bis(thiophen-2-ylmethyl)hexanamide has a molecular weight of 379.55 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylcarbamoylamino)-N,N-bis(thiophen-2-ylmethyl)hexanamide is sourced from PubChem (CID 76534196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).