benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium

C21H22N3O2S+ — CID 9445948

IUPACbenzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium
SMILESC[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C21H21N3O2S/c1-14(20(26)24-21-17(19(22)25)12-13-27-21)23-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,18,23H,1H3,(H2,22,25)(H,24,26)/p+1/t14-/m1/s1
InChIKeyOAGJKEJXWBEVAH-CQSZACIVSA-O
MW380.49 g/mol
LogP2.53
Rot. Bonds7

About benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium

benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium (PubChem CID 9445948) has the molecular formula C21H22N3O2S+ and a molecular weight of 380.49 g/mol. Its IUPAC name is benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Namebenzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium
PubChem CID9445948
Molecular FormulaC21H22N3O2S+
Molecular Weight380.49 g/mol
Exact Mass380.14
IUPAC Namebenzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium
SMILESC[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C21H21N3O2S/c1-14(20(26)24-21-17(19(22)25)12-13-27-21)23-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,18,23H,1H3,(H2,22,25)(H,24,26)/p+1/t14-/m1/s1
InChIKeyOAGJKEJXWBEVAH-CQSZACIVSA-O
XLogP2.53
TPSA88.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248820
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide
CID 80550057
2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide
CID 43470594
2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide
CID 7346644
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] benzoate
CID 25387908
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(R)-(4-chlorophenyl)-phenylmethyl]azanium
CID 8891637
2-[(3-chloro-2-methylpropanoyl)amino]thiophene-3-carboxamide
CID 62726791
2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 8730419
methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate
CID 7166897
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 40820884
2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
CID 79023007
2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide
CID 78668010

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium?
The IUPAC name of benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium (CID 9445948) is benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium.
What is the SMILES notation for benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium?
The canonical SMILES for benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium is C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium?
The InChIKey is OAGJKEJXWBEVAH-CQSZACIVSA-O. The full InChI is InChI=1S/C21H21N3O2S/c1-14(20(26)24-21-17(19(22)25)12-13-27-21)23-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,18,23H,1H3,(H2,22,25)(H,24,26)/p+1/t14-/m1/s1.
What are the key properties of benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium?
benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium has a molecular weight of 380.49 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 9445948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).