N-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide

C19H35N5O3S2 — CID 111384419

IUPACN-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCCc1ccc(S(=O)(=O)N(CC)CC)s1
InChIInChI=1S/C19H35N5O3S2/c1-7-20-18(22-14-16(25)23-19(4,5)6)21-13-12-15-10-11-17(28-15)29(26,27)24(8-2)9-3/h10-11H,7-9,12-14H2,1-6H3,(H,23,25)(H2,20,21,22)
InChIKeyVCXKSWDAEHWWSB-UHFFFAOYSA-N
MW445.66 g/mol
LogP1.79
Rot. Bonds10

About N-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide

N-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide (PubChem CID 111384419) has the molecular formula C19H35N5O3S2 and a molecular weight of 445.66 g/mol. Its IUPAC name is N-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide
PubChem CID111384419
Molecular FormulaC19H35N5O3S2
Molecular Weight445.66 g/mol
Exact Mass445.22
IUPAC NameN-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCCc1ccc(S(=O)(=O)N(CC)CC)s1
InChIInChI=1S/C19H35N5O3S2/c1-7-20-18(22-14-16(25)23-19(4,5)6)21-13-12-15-10-11-17(28-15)29(26,27)24(8-2)9-3/h10-11H,7-9,12-14H2,1-6H3,(H,23,25)(H2,20,21,22)
InChIKeyVCXKSWDAEHWWSB-UHFFFAOYSA-N
XLogP1.79
TPSA102.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.66
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide
CID 111384311
1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-2-(2-methoxy-3,3-dimethylbutyl)guanidine;hydroiodide
CID 111710196
1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-2-pentylguanidine
CID 111128559
1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 110976239
1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940890
1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938693
1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111524833
1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine
CID 111101475
1-butyl-3-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylguanidine;hydroiodide
CID 111150137
1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine
CID 110989219
1-benzyl-3-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylguanidine;hydroiodide
CID 110954511
N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
CID 111226095

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide (CID 111384419) is N-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC(C)(C)C)NCCc1ccc(S(=O)(=O)N(CC)CC)s1.
What is the InChIKey of N-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide?
The InChIKey is VCXKSWDAEHWWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O3S2/c1-7-20-18(22-14-16(25)23-19(4,5)6)21-13-12-15-10-11-17(28-15)29(26,27)24(8-2)9-3/h10-11H,7-9,12-14H2,1-6H3,(H,23,25)(H2,20,21,22).
What are the key properties of N-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide?
N-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide has a molecular weight of 445.66 g/mol, XLogP of 1.79, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111384419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).