N-tert-butyl-2-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]acetamide

C14H23N3O2S — CID 56824528

IUPACN-tert-butyl-2-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]acetamide
SMILESCc1ccc(CN(C)C(=O)NCC(=O)NC(C)(C)C)s1
InChIInChI=1S/C14H23N3O2S/c1-10-6-7-11(20-10)9-17(5)13(19)15-8-12(18)16-14(2,3)4/h6-7H,8-9H2,1-5H3,(H,15,19)(H,16,18)
InChIKeyAXOUHIBCESULPK-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.11
Rot. Bonds4

About N-tert-butyl-2-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]acetamide

N-tert-butyl-2-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]acetamide (PubChem CID 56824528) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-tert-butyl-2-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]acetamide
PubChem CID56824528
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-tert-butyl-2-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]acetamide
SMILESCc1ccc(CN(C)C(=O)NCC(=O)NC(C)(C)C)s1
InChIInChI=1S/C14H23N3O2S/c1-10-6-7-11(20-10)9-17(5)13(19)15-8-12(18)16-14(2,3)4/h6-7H,8-9H2,1-5H3,(H,15,19)(H,16,18)
InChIKeyAXOUHIBCESULPK-UHFFFAOYSA-N
XLogP2.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[N'-methyl-N-[(5-methylthiophen-2-yl)methyl]carbamimidoyl]amino]acetamide
CID 111384902
2-[[2-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]acetyl]amino]acetic acid
CID 61440287
2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 166403146
1-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-(3-nitro-4-pyridinyl)urea
CID 84599352
4-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024864
2-(5-methylthiophen-2-yl)acetohydrazide
CID 130978061
1-methyl-1-[(4-methylsulfinylphenyl)methyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 71977301
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 51223592
3-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea
CID 95328081
N-(2-amino-2-methylpropyl)-2-(5-methylthiophen-2-yl)acetamide
CID 119626700
3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 119773776

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]acetamide (CID 56824528) is N-tert-butyl-2-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]acetamide is Cc1ccc(CN(C)C(=O)NCC(=O)NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-2-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]acetamide?
The InChIKey is AXOUHIBCESULPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-6-7-11(20-10)9-17(5)13(19)15-8-12(18)16-14(2,3)4/h6-7H,8-9H2,1-5H3,(H,15,19)(H,16,18).
What are the key properties of N-tert-butyl-2-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]acetamide?
N-tert-butyl-2-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]acetamide has a molecular weight of 297.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]acetamide is sourced from PubChem (CID 56824528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).